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Showing NP-Card for Nitrogen oxides (NP0338537)

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Record Information
Version2.0
Created at2024-09-11 15:56:25 UTC
Updated at2024-09-11 15:56:26 UTC
NP-MRD IDNP0338537
Secondary Accession NumbersNone
Natural Product Identification
Common NameNitrogen oxides
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338537 (Nitrogen oxides)


  Mrv0541 02241221262D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0338537 (Nitrogen oxides)

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3D SDF for NP0338537 (Nitrogen oxides)

  Mrv0541 02241221262D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0338537

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[NH3+][O-]

> <INCHI_IDENTIFIER>
InChI=1S/H3NO/c1-2/h1H3

> <INCHI_KEY>
GSWAOPJLTADLTN-UHFFFAOYSA-N

> <FORMULA>
H3NO

> <MOLECULAR_WEIGHT>
33.0299

> <EXACT_MASS>
33.021463723

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.7762143657830944

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxidanimine

> <JCHEM_LOGP>
-0.7404963796666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.646080927540282

> <JCHEM_PKA_STRONGEST_BASIC>
3.9363259098959786

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
7.848700000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrogen oxide

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0338537 (Nitrogen oxides)
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PDB for NP0338537 (Nitrogen oxides)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0       1.540   0.000   0.000  0.00  0.00           N+1
HETATM    2  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
CONECT    1    2                                                            
CONECT    2    1                                                            
MASTER        0    0    0    0    0    0    0    0    2    0    2    0
END

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3D PDB for NP0338537 (Nitrogen oxides)
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SMILES for NP0338537 (Nitrogen oxides)
[NH3+][O-]
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INCHI for NP0338537 (Nitrogen oxides)
InChI=1S/H3NO/c1-2/h1H3
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Synonyms
ValueSource
Nitrogen oxide (nox)HMDB
Sodium zirconium oxide sulfateHMDB
Sodium zirconium oxide sulphateHMDB
Chemical FormulaH3NO
Average Mass33.0299 Da
Monoisotopic Mass33.02146 Da
IUPAC Nameoxidanimine
Traditional Namenitrogen oxide
CAS Registry NumberNot Available
SMILES
[NH3+][O-]
InChI Identifier
InChI=1S/H3NO/c1-2/h1H3
InChI KeyGSWAOPJLTADLTN-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 other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassOther non-metal organides  
Sub ClassOther non-metal oxides  
Direct ParentOther non-metal oxides  
Alternative Parents
Substituents
  • Other non-metal oxide
    • 

  • Inorganic oxide
Molecular FrameworkNot Available
External DescriptorsNot Available
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
logP-0.74ChemAxon
pKa (Strongest Acidic)17.65ChemAxon
pKa (Strongest Basic)3.94ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area46.25 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.85 m³·mol⁻¹ChemAxon
Polarizability2.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB009939  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNitrogen oxide  
METLIN IDNot Available
PubChem Compound160954  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available