Mrv0541 02231218562D          

  4  3  0  0  0  0            999 V2000
   14.3009   -5.3214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0154   -5.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0154   -6.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5864   -5.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022436

> <DATABASE_NAME>
foodb

> <SMILES>
CNC=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)

> <INCHI_KEY>
ATHHXGZTWNVVOU-UHFFFAOYSA-N

> <FORMULA>
C2H5NO

> <MOLECULAR_WEIGHT>
59.0672

> <EXACT_MASS>
59.037113787

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
5.75540955627049

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-methylformamide

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-0.8553109703333334

> <ALOGPS_LOGS>
0.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.54298091278144

> <JCHEM_PKA_STRONGEST_BASIC>
-0.842484936384209

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
14.8721

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.95e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylformamide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB022436

> <GENERIC_NAME>
N-Methylformamide

$$$$