Mrv1572004191604282D          

  4  2  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  1  1  0  0  0  0
M  CHG  1   4   1
M  END
> <DATABASE_ID>
CHEM015492

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].OC#N

> <INCHI_IDENTIFIER>
InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1

> <INCHI_KEY>
ZVCDLGYNFYZZOK-UHFFFAOYSA-N

> <FORMULA>
CHNNaO

> <MOLECULAR_WEIGHT>
66.014

> <EXACT_MASS>
65.99503436

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
3.1644120706131806

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium cyanic acid

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
-0.5380605726666667

> <ALOGPS_LOGS>
0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.2948031620210703

> <JCHEM_PKA_STRONGEST_BASIC>
-9.926146903068016

> <JCHEM_POLAR_SURFACE_AREA>
44.019999999999996

> <JCHEM_REFRACTIVITY>
9.2202

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.08e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium cyanic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Sodium cyanate

> <CAS>
917-61-3

$$$$