Mrv1652303102016472D          

  4  3  0  0  0  0            999 V2000
   11.9610  -14.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7859  -14.1646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1984  -13.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6109  -12.7356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0095981

> <DATABASE_NAME>
bmdb

> <SMILES>
OSC#N

> <INCHI_IDENTIFIER>
InChI=1S/CHNOS/c2-1-4-3/h3H

> <INCHI_KEY>
ZCZCOXLLICTZAH-UHFFFAOYSA-N

> <FORMULA>
CHNOS

> <MOLECULAR_WEIGHT>
75.09

> <EXACT_MASS>
74.977884349

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
5.925577749977944

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(hydroxysulfanyl)formonitrile

> <ALOGPS_LOGP>
-0.93

> <JCHEM_LOGP>
0.35457041866666666

> <ALOGPS_LOGS>
-0.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.967349373793665

> <JCHEM_PKA_STRONGEST_BASIC>
-4.12528138390265

> <JCHEM_POLAR_SURFACE_AREA>
44.019999999999996

> <JCHEM_REFRACTIVITY>
17.0137

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.82e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanosulfoxylic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0095981

> <GENERIC_NAME>
Hypothiocyanite

$$$$