Mrv1572004191602512D          

 13  8  0  0  0  0            999 V2000
    1.5321    0.6464    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
   -0.7219    1.2503    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
   -1.3258   -1.0036    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    0.8176    0.2339    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3094    0.5359    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6113   -0.5911    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5156   -0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031   -0.1786    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5964   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4214   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  2  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  2  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4  -1   5  -1   6  -1   9  -1  10  -1
M  CHG  1  11  -1
M  END
> <DATABASE_ID>
CHEM010005

> <DATABASE_NAME>
chemdb

> <SMILES>
[Co++].[Co++].[Co++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/3Co.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6

> <INCHI_KEY>
ZBDSFTZNNQNSQM-UHFFFAOYSA-H

> <FORMULA>
Co3O8P2

> <MOLECULAR_WEIGHT>
366.739

> <EXACT_MASS>
366.706423

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932137383430433

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(λ²-cobalt(2+) ion) diphosphate

> <ALOGPS_LOGP>
0.33

> <JCHEM_LOGP>
-1.0201038226666665

> <ALOGPS_LOGS>
-0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
11.2868

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.17e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(λ²-cobalt(2+) ion) diphosphate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cobalt(II) phosphate

> <CAS>
13455-36-2

$$$$