946
  -OEChem-10051722483D

  3  2  0     0  0  0  0  0  0999 V2000
   -1.1533    0.2461    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1149    0.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384   -0.5186    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  CHG  1   1  -1
M  END
> <DATABASE_ID>
DB12529

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IOVCWXUNBOPUCH-UHFFFAOYSA-M/SDF?record_type=3d

> <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

$$$$