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Showing NP-Card for Potassium chloride (NP0334580)

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Record Information
Version2.0
Created at2024-09-10 18:59:37 UTC
Updated at2024-09-10 18:59:38 UTC
NP-MRD IDNP0334580
Secondary Accession NumbersNone
Natural Product Identification
Common NamePotassium chloride
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334580 (Potassium chloride)


  Mrv0541 02231214592D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0334580 (Potassium chloride)

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3D SDF for NP0334580 (Potassium chloride)

  Mrv0541 02231214592D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0334580

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Cl-].[K+]

> <INCHI_IDENTIFIER>
InChI=1S/ClH.K/h1H;/q;+1/p-1

> <INCHI_KEY>
WCUXLLCKKVVCTQ-UHFFFAOYSA-M

> <FORMULA>
ClK

> <MOLECULAR_WEIGHT>
74.551

> <EXACT_MASS>
73.932559568

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium chloride

> <JCHEM_LOGP>
0.2

> <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>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium chloride

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334580 (Potassium chloride)
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PDB for NP0334580 (Potassium chloride)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  K   UNK     0       0.000   0.000   0.000  0.00  0.00           K+1
HETATM    2 Cl   UNK     0       1.867   0.000   0.000  0.00  0.00          Cl-1
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0334580 (Potassium chloride)
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SMILES for NP0334580 (Potassium chloride)
[Cl-].[K+]
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INCHI for NP0334580 (Potassium chloride)
InChI=1S/ClH.K/h1H;/q;+1/p-1
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Synonyms
ValueSource
[KCL]ChEBI
KaliumchloridChEBI
Kaon-CL 10ChEBI
KClChEBI
Klor-CONChEBI
KlotrixChEBI
Monopotassium chlorideChEBI
Muriate OF potashChEBI
SylviteChEBI
K-DurKegg
Kaon-CLKegg
Muriic acid OF potashGenerator
Chloride, potassiumMeSH
Slow-KMeSH
Chemical FormulaClK
Average Mass74.5510 Da
Monoisotopic Mass73.93256 Da
IUPAC Namepotassium chloride
Traditional Namepotassium chloride
CAS Registry NumberNot Available
SMILES
[Cl-].[K+]
InChI Identifier
InChI=1S/ClH.K/h1H;/q;+1/p-1
InChI KeyWCUXLLCKKVVCTQ-UHFFFAOYSA-M
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 alkali metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is an alkali metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkali metal salts  
Sub ClassAlkali metal chlorides  
Direct ParentAlkali metal chlorides  
Alternative Parents
Substituents
  • Alkali metal chloride
    • 

  • Inorganic chloride salt
    • 

  • Inorganic salt
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
logP0.2ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB00761  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015439  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDKCL  
BiGG IDNot Available
Wikipedia LinkPotassium_Chloride  
METLIN IDNot Available
PubChem Compound4873  
PDB IDNot Available
ChEBI ID32588  
Good Scents IDNot Available
References
General ReferencesNot Available