Mrv0541 09051414402D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
M  CHG  1   1  -1
M  END
> <DATABASE_ID>
FDB006696

> <DATABASE_NAME>
foodb

> <SMILES>
[C-]#N

> <INCHI_IDENTIFIER>
InChI=1S/CN/c1-2/q-1

> <INCHI_KEY>
XFXPMWWXUTWYJX-UHFFFAOYSA-N

> <FORMULA>
CN

> <MOLECULAR_WEIGHT>
26.0179

> <EXACT_MASS>
26.003622585

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.068129546361004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iminomethanide

> <ALOGPS_LOGP>
-0.79

> <JCHEM_LOGP>
-0.34619831566666665

> <ALOGPS_LOGS>
-0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.499999999999998

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
15.814900000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.27e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB006696

> <GENERIC_NAME>
Cyanide

$$$$