Mrv0541 08251413502D          

  6  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    4.5964    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  5  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   2   2   5  -1   6  -1
M  END
> <DATABASE_ID>
T3D0688

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.[OH-].[OH-].[Cr].[Ni++]

> <INCHI_IDENTIFIER>
InChI=1S/Cr.Ni.4H2O/h;;4*1H2/q;+2;;;;/p-2

> <INCHI_KEY>
GCDQTDHAVFZYMC-UHFFFAOYSA-L

> <FORMULA>
CrH6NiO4

> <MOLECULAR_WEIGHT>
180.7347

> <EXACT_MASS>
179.902468506

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) ion chromium dihydrate dihydroxide

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-0.156

> <ALOGPS_LOGS>
1.08

> <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>
1.12e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nickel(2+) ion chromium dihydrate dihydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0688

> <NAME>
Nickel chromate

> <CAS>
14721-18-7

> <SYNONYMS>
Nickel chromate (ous); Nickel chromate(VI); Nickel chromic acid; Nickel chromite; Nickel chromium oxide; Nickel(II) chromium(VI) oxide; Nickelous chromate; NiCrO4

> <TYPES>
Inorganic Compound; Chromium Compound; Nickel Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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