Mrv1572004251606272D          

 13  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
    6.3643    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    8.2500    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.5393    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.4768   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    4.5964   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  8   2   1   3   2   6  -2   7  -2   8  -2   9  -2  10  -2  11  -2
M  CHG  2  12  -2  13  -2
M  END
> <DATABASE_ID>
CHEM009640

> <DATABASE_NAME>
chemdb

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mn].[Mn].[Cu].[Cu+].[Cu++]

> <INCHI_IDENTIFIER>
InChI=1S/3Cu.2Mn.8O/q;+1;+2;;;8*-2

> <INCHI_KEY>
ODEXFDRKQDTURJ-UHFFFAOYSA-N

> <FORMULA>
Cu3Mn2O8

> <MOLECULAR_WEIGHT>
428.513

> <EXACT_MASS>
426.63133

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-13

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) ion λ¹-copper(1+) ion copper dimanganese octaoxidandiide

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
0.156

> <ALOGPS_LOGS>
0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) ion λ¹-copper(1+) ion copper dimanganese octaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Copper manganese oxide (Cu3Mn3O8)

> <CAS>
12175-02-9

$$$$