Mrv1652305271900122D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.1366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.1366    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
M  END
> <DATABASE_ID>
FDB022677

> <DATABASE_NAME>
foodb

> <SMILES>
NC=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)

> <INCHI_KEY>
ZHNUHDYFZUAESO-UHFFFAOYSA-N

> <FORMULA>
CH3NO

> <MOLECULAR_WEIGHT>
45.0406

> <EXACT_MASS>
45.021463723

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
3.8305683658358256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
formamide

> <ALOGPS_LOGP>
-1.53

> <JCHEM_LOGP>
-1.078987036

> <ALOGPS_LOGS>
1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.669309876522544

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7073040777793448

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
9.975399999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.03e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
formamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022677

> <GENERIC_NAME>
Formamide

$$$$