Mrv0541 02241205562D          

 12  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  CHG  3   7   2   8  -1  10  -1
M  END
> <DATABASE_ID>
CHEM016362

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2

> <INCHI_KEY>
RRIWRJBSCGCBID-UHFFFAOYSA-L

> <FORMULA>
H12NiO10S

> <MOLECULAR_WEIGHT>
262.848

> <EXACT_MASS>
261.950465216

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) ion hexahydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nickel(2+) ion hexahydrate sulfate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Nickel(II) sulfate hexahydrate

> <CAS>
10101-97-0

$$$$