Mrv1572004251602112D          

  4  3  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  3  0  0  0  0
  4  2  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020920

> <DATABASE_NAME>
chemdb

> <SMILES>
O=CC#N

> <INCHI_IDENTIFIER>
InChI=1S/C2HNO/c3-1-2-4/h2H

> <INCHI_KEY>
TUHMQDODLHWPCC-UHFFFAOYSA-N

> <FORMULA>
C2HNO

> <MOLECULAR_WEIGHT>
55.036

> <EXACT_MASS>
55.005813656

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.263867484219393

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
formyl cyanide

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
0.09094049500000001

> <ALOGPS_LOGS>
-0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.641510398897976

> <JCHEM_PKA_STRONGEST_BASIC>
-8.561082694343117

> <JCHEM_POLAR_SURFACE_AREA>
40.86

> <JCHEM_REFRACTIVITY>
12.4793

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.78e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanoketone

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cyanoformaldehyde

$$$$