9561073
  -OEChem-12291716563D

  8  7  0     0  0  0  0  0  0999 V2000
   -1.7189    0.2266   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -0.0151   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349   -0.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639    0.3038    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143    1.3979    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    0.7008    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979   -0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -0.4765   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01896

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
NC=NO

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)

> <INCHI_KEY>
IONSZLINWCGRRI-UHFFFAOYSA-N

> <FORMULA>
CH4N2O

> <MOLECULAR_WEIGHT>
60.056

> <EXACT_MASS>
60.032362757

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2650449101379095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N'-hydroxymethanimidamide

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-1.0123405833333332

> <ALOGPS_LOGS>
0.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.334570191136052

> <JCHEM_PKA_STRONGEST_BASIC>
5.294583110633855

> <JCHEM_POLAR_SURFACE_AREA>
58.61

> <JCHEM_REFRACTIVITY>
13.919200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
formamide oxime

> <JCHEM_VEBER_RULE>
0

$$$$