Mrv1652309042000052D          

  1  0  0  0  0  0            999 V2000
   12.7775  -16.3242    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
T3D0128

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu++]

> <INCHI_IDENTIFIER>
InChI=1S/Cu/q+2

> <INCHI_KEY>
JPVYNHNXODAKFH-UHFFFAOYSA-N

> <FORMULA>
Cu

> <MOLECULAR_WEIGHT>
63.546

> <EXACT_MASS>
62.929601079

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) ion

> <JCHEM_LOGP>
0.156

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0128

> <NAME>
Copper

> <CAS>
7440-50-8

> <SYNONYMS>
Copper ion; Copper(2+); Copper(2+) ion; Copper(II); Copper(II) cation; Copper(II) ion; Cu(2+); Cu2+

> <TYPES>
Inorganic Compound; Metal; Copper Compound; Pollutant; Food Toxin; Metabolite; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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