Mrv0541 02241204582D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 Na  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>
T3D0766

> <DATABASE_NAME>
t3db

> <SMILES>
[Na]C#N

> <INCHI_IDENTIFIER>
InChI=1S/CN.Na/c1-2;

> <INCHI_KEY>
RTVFYQXEHKQMKO-UHFFFAOYSA-N

> <FORMULA>
CNNa

> <MOLECULAR_WEIGHT>
49.0072

> <EXACT_MASS>
48.99284368

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
4.011667355542701

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodiumcarbonitrile

> <ALOGPS_LOGP>
-0.40

> <JCHEM_LOGP>
0.09010000000000001

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
6.6556

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.25e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
NaCN

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0766

> <NAME>
Sodium cyanide

> <CAS>
143-33-9

> <SYNONYMS>
Cyanide of sodium; Cyanide salts; Cyanide, sodium; Cyanobrik; Cyanogran; Hydrocyanic acid, sodium salt; Hydrogen cyanide and cyanide salts; NaCN; Sodium cyanide solution; Sodium cyanide, solid

> <TYPES>
Inorganic Compound; Organic Compound; Cyanide Compound; Nitrile; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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