Mrv1572004191602442D          

  8  3  0  0  0  0            999 V2000
    0.1375    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.4763    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.1908    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.2382    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    3.3196    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
M  CHG  6   3  -1   4  -1   5   2   6   2   7  -1   8  -1
M  END
> <DATABASE_ID>
CHEM009605

> <DATABASE_NAME>
chemdb

> <SMILES>
[OH-].[OH-].[Cu++].[Cu++].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4

> <INCHI_KEY>
ZMMDPCMYTCRWFF-UHFFFAOYSA-J

> <FORMULA>
CH2Cu2O5

> <MOLECULAR_WEIGHT>
221.114

> <EXACT_MASS>
219.849419

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dicopper(2+) ion dihydroxide carbonate

> <ALOGPS_LOGP>
0.41

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dicopper(2+) ion dihydroxide carbonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Copper, [.mu.-[carbonato(2-)-O:O']]dihydroxydi-

> <CAS>
12069-69-1

$$$$