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Showing NP-Card for Hydrogen chloride (NP0334710)

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Record Information
Version2.0
Created at2024-09-10 19:37:50 UTC
Updated at2024-09-10 19:37:51 UTC
NP-MRD IDNP0334710
Secondary Accession NumbersNone
Natural Product Identification
Common NameHydrogen chloride
DescriptionHydrochloric acid, also known as HCl or hydrochloride, belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen. Hydrochloric acid is an extremely strong acidic compound (based on its pKa). Hydrochloric acid is a potentially toxic compound. Hydrogen chloride was first documented in 2005 (PMID: 15823700). A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms (PMID: 17492841) (PMID: 22804993).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334710 (Hydrogen chloride)

313
  Mrv0541 02231219282D          

  1  0  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0334710 (Hydrogen chloride)

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3D SDF for NP0334710 (Hydrogen chloride)
313
  Mrv0541 02231219282D          

  1  0  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0334710

> <DATABASE_NAME>
NP-MRD

> <SMILES>
Cl

> <INCHI_IDENTIFIER>
InChI=1S/ClH/h1H

> <INCHI_KEY>
VEXZGXHMUGYJMC-UHFFFAOYSA-N

> <FORMULA>
ClH

> <MOLECULAR_WEIGHT>
36.461

> <EXACT_MASS>
35.976677739

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.652584946676328

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrogen chloride

> <JCHEM_LOGP>
0.6123387216666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
6.4155999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen chloride

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334710 (Hydrogen chloride)
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PDB for NP0334710 (Hydrogen chloride)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 313                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Cl   UNK     0       3.080   0.000   0.000  0.00  0.00          Cl+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0334710 (Hydrogen chloride)
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SMILES for NP0334710 (Hydrogen chloride)
Cl
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INCHI for NP0334710 (Hydrogen chloride)
InChI=1S/ClH/h1H
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Synonyms
ValueSource
[HCL]ChEBI
Chlorure d'hydrogeneChEBI
ChlorwasserstoffChEBI
Cloruro de hidrogenoChEBI
HClChEBI
HydrochlorideChEBI
HydrogenchloridChEBI
WasserstoffchloridChEBI
Hydrogen chlorideKegg
HydrochlateGenerator
Hydrochlic acidGenerator
Anhydrous hydrochloric acidHMDB
Aqueous hydrogen chlorideHMDB
ChloraneHMDB
Chlorohydric acidHMDB
HCL]HMDB
Hydrochloric acid (JP15/nf)HMDB
Hydrochloric acid gasHMDB
Hydrogen chloric anhydrousHMDB
Hydrogen chloride (acid)HMDB
Hydrogen chloride (HCL)HMDB
Hydrogen chloride anhydrousHMDB
Marine acidHMDB
Muriatic acidHMDB
Spirit OF saltHMDB
Acid, muriaticHMDB
Acid, hydrochloricHMDB
Chloride, hydrogenHMDB
Chemical FormulaClH
Average Mass36.4610 Da
Monoisotopic Mass35.97668 Da
IUPAC Namehydrogen chloride
Traditional Namehydrogen chloride
CAS Registry NumberNot Available
SMILES
Cl
InChI Identifier
InChI=1S/ClH/h1H
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassHalogen organides  
Sub ClassHalogen hydrides  
Direct ParentHalogen hydrides  
Alternative Parents
Substituents
  • Halogen hydride
    • 

  • Inorganic hydride
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.42 m³·mol⁻¹ChemAxon
Polarizability2.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0002306  
DrugBank IDDB13366  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB016076  
KNApSAcK IDNot Available
Chemspider ID307  
KEGG Compound IDC01327  
BioCyc IDHCL  
BiGG IDNot Available
Wikipedia LinkHydrochloric_acid  
METLIN IDNot Available
PubChem Compound313  
PDB IDNot Available
ChEBI ID17883  
Good Scents IDNot Available
References
General References
  1. Robertson DS: The chemical reactions in the human stomach and the relationship to metabolic disorders. Med Hypotheses. 2005;64(6):1127-31. doi: 10.1016/j.mehy.2004.12.018. [PubMed:15823700  ] 
  2. Yan B, Shi R, Zhang B, Kshirsagar T: A kinetic study of product cleavage reactions from the solid phase by a biocompatible and removable cleaving reagent, HCl. J Comb Chem. 2007 Jul-Aug;9(4):684-9. doi: 10.1021/cc070027f. Epub 2007 May 11. [PubMed:17492841  ] 
  3. Lu YL, Chen CJ, Liang BX: [The changes of peripheral blood lymphocyte subsets in patients with acute hydrogen chloride gas poisoning]. Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi. 2012 May;30(5):375-6. [PubMed:22804993  ]