Mrv1572004251606372D          

 11  3  0  0  0  0            999 V2000
    0.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6282    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    4.5139    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.0145    0.0000 O   0  0  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  3   3  -1   4  -1   7   2
M  END
> <DATABASE_ID>
CHEM009757

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
VREKOANFTOTBCM-UHFFFAOYSA-L

> <FORMULA>
CH8Ni3O7

> <MOLECULAR_WEIGHT>
308.148

> <EXACT_MASS>
305.833029

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) ion tetrahydrate dinickel carbonate

> <ALOGPS_LOGP>
0.41

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-0.38

> <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>
7.25e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nickel(2+) ion tetrahydrate dinickel carbonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Basic nickel(II) carbonate

> <CAS>
12607-70-4

> <SYNONYMS>
1:2 basic carbonate

$$$$