Mrv1718003241811222D          

  3  2  0  0  0  0            999 V2000
   -0.7101   -0.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101   -0.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164    0.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
DB09112

> <DATABASE_NAME>
drugbank

> <SMILES>
ON=O

> <INCHI_IDENTIFIER>
InChI=1S/HNO2/c2-1-3/h(H,2,3)

> <INCHI_KEY>
IOVCWXUNBOPUCH-UHFFFAOYSA-N

> <FORMULA>
HNO2

> <MOLECULAR_WEIGHT>
47.0134

> <EXACT_MASS>
47.000728281

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8096222239433186

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitrous acid

> <JCHEM_LOGP>
0.166137638

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.46791021358391

> <JCHEM_POLAR_SURFACE_AREA>
49.660000000000004

> <JCHEM_REFRACTIVITY>
8.7217

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrous acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09112

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Nitrous acid

> <SYNONYMS>
dioxonitric acid; hydroxidooxidonitrogen; nitrosyl hydroxide

> <PRODUCTS>
CVS Pharmacy Enamel Guard; Fraiche 5000 Sensitive; Nithiodote; Rite Aid Enamel Guard; Sodium Nitrite; Sodium Nitrite Injection, USP; Wakefern Enamel Guard

> <SALTS>
Potassium nitrite; Sodium nitrite

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