Mrv0541 02241205062D          

  4  1  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  4   1   1   2  -1   3  -1   4   1
M  END
> <DATABASE_ID>
T3D1199

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu+].[Cu+].[C-]#[C-]

> <INCHI_IDENTIFIER>
InChI=1S/C2.2Cu/c1-2;;/q-2;2*+1

> <INCHI_KEY>
SQDLRJMJSRRYGA-UHFFFAOYSA-N

> <FORMULA>
C2Cu2

> <MOLECULAR_WEIGHT>
151.113

> <EXACT_MASS>
149.859202158

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3466550939737933

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(λ¹-copper(1+) ion) acetylene

> <ALOGPS_LOGP>
-0.79

> <JCHEM_LOGP>
0.15384704066666668

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
5.4

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.91e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(λ¹-copper(1+) ion) acetylene

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1199

> <NAME>
Copper(I) acetylide

> <CAS>
1117-94-8

> <SYNONYMS>
Cuprous acetylide; Dicuprous acetylide

> <TYPES>
Organic Compound; Copper Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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