
  Mrv0541 02241204592D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB001695

> <DATABASE_NAME>
M2MDB

> <SMILES>
SC#N

> <INCHI_IDENTIFIER>
InChI=1S/CHNS/c2-1-3/h3H

> <INCHI_KEY>
ZMZDMBWJUHKJPS-UHFFFAOYSA-N

> <FORMULA>
CHNS

> <MOLECULAR_WEIGHT>
59.09

> <EXACT_MASS>
58.982969727

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
5.037669136616069

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfanylformonitrile

> <ALOGPS_LOGP>
0.32

> <JCHEM_LOGP>
0.5057528946666666

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.49709613151900633

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
15.3472

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiocyanate ion

> <JCHEM_VEBER_RULE>
1

$$$$
