Mrv1718012291716562D          

  4  3  0  0  0  0            999 V2000
    0.3639    0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571    0.3351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    0.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772    0.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01896

> <DATABASE_NAME>
drugbank

> <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

> <DRUGBANK_ID>
DBMET01896

> <NAME>
N-hydroxycynamide

$$$$