Mrv0541 02241204582D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 Cu  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>
T3D0753

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu]C#N

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

> <INCHI_KEY>
DULSAGLWMRMKCQ-UHFFFAOYSA-N

> <FORMULA>
CCuN

> <MOLECULAR_WEIGHT>
89.563

> <EXACT_MASS>
88.932675084

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
4.244962725929781

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
coppercarbonitrile

> <ALOGPS_LOGP>
-0.48

> <JCHEM_LOGP>
0.046099999999999974

> <ALOGPS_LOGS>
-0.07

> <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>
7.64e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cuprous cyanide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0753

> <NAME>
Copper(I) cyanide

> <CAS>
544-92-3

> <SYNONYMS>
Copper cyanide; Copper(1) cyanide; Cu(CN); CuCN; Cuprous cyanide; Rodq\dohn

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

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