787
  -OEChem-06292311153D

  5  4  0     0  0  0  0  0  0999 V2000
    0.7247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.9070    0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.7044    0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842    0.1688   -0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03681

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
NO

> <INCHI_IDENTIFIER>
InChI=1S/H3NO/c1-2/h2H,1H2

> <INCHI_KEY>
AVXURJPOCDRRFD-UHFFFAOYSA-N

> <FORMULA>
H3NO

> <MOLECULAR_WEIGHT>
33.03

> <EXACT_MASS>
33.021463721

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0004847726657167

> <JCHEM_AVERAGE_POLARIZABILITY>
2.776214365783095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydroxylamine

> <JCHEM_LOGP>
-0.7404963796666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
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>
hydroxylamine

> <JCHEM_VEBER_RULE>
0

$$$$