Mrv0541 02231219352D          

  3  2  0  0  0  0            999 V2000
    2.9013   -2.9288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7263   -2.9288    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4888   -2.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
DB12529

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-]N=O

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

> <INCHI_KEY>
IOVCWXUNBOPUCH-UHFFFAOYSA-M

> <FORMULA>
NO2

> <MOLECULAR_WEIGHT>
46.0055

> <EXACT_MASS>
45.992903249

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
3.404785732477296e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
2.4448587770475987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitrite

> <JCHEM_LOGP>
0.166137638

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.467910213583911

> <JCHEM_POLAR_SURFACE_AREA>
52.49

> <JCHEM_REFRACTIVITY>
7.6

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB12529

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Nitrite

> <SYNONYMS>
Nitrite anion; Nitrite ion

$$$$