Mrv0541 02241204582D          

  4  3  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   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
    0.0000    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  1  0  0  0  0
  3  4  3  0  0  0  0
M  END
> <DATABASE_ID>
T3D0776

> <DATABASE_NAME>
t3db

> <SMILES>
[K]OC#N

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

> <INCHI_KEY>
GKKCIDNWFBPDBW-UHFFFAOYSA-M

> <FORMULA>
CKNO

> <MOLECULAR_WEIGHT>
81.1151

> <EXACT_MASS>
80.961695488

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.684916172696493

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium cyanate

> <ALOGPS_LOGP>
0.12

> <JCHEM_LOGP>
0.3613

> <ALOGPS_LOGS>
-0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.282840917077893

> <JCHEM_POLAR_SURFACE_AREA>
33.019999999999996

> <JCHEM_REFRACTIVITY>
8.0058

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.58e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium cyanate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0776

> <NAME>
Potassium cyanate

> <CAS>
590-28-3

> <SYNONYMS>
Alicyanate; Bulpur; Cyanic acid, potassium salt; D and P double O crabgrass killer; Ded-weed crabgrass killer; Dupont PC crabgrass killer; Green cross crabgrass killer; Isocyanic acid, potassium salt; KOCN; Miller p.c. weedkiller; Potassium cyanic acid; Potassium isocyanate; Weedanol cyanol

> <TYPES>
Inorganic Compound; Organic Compound; Pesticide; Cyanide Compound; Nitrile; Pollutant; Synthetic Compound

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