Mrv0541 11241422502D          

 14  8  0  0  0  0            999 V2000
   -3.6535    1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7696    1.6500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.6500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -3.6535   -0.8250    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.8250    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8285   -0.8250    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6535   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  8   1  -1   2   1   3   2   4   2   5  -1   7  -1  10  -1  12  -1
M  END
> <DATABASE_ID>
T3D0718

> <DATABASE_NAME>
t3db

> <SMILES>
[OH-].[K+].[Zn++].[Zn++].[O-][Cr]([O-])(=O)=O.[O-][Cr]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.K.H2O.8O.2Zn/h;;;1H2;;;;;;;;;;/q;;+1;;;;;;4*-1;2*+2/p-1

> <INCHI_KEY>
GQKCRUJOPUHISR-UHFFFAOYSA-M

> <FORMULA>
Cr2HKO9Zn2

> <MOLECULAR_WEIGHT>
418.911

> <EXACT_MASS>
415.665080455

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
6.036749270307656

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dizinc(2+) ion potassium bis(dioxochromiumbis(olate)) hydroxide

> <ALOGPS_LOGP>
-0.30

> <JCHEM_LOGP>
-2.5252

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.3010299956639804

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.08e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dizinc(2+) ion potassium bis(chromate(2-)) hydroxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0718

> <NAME>
Potassium zinc chromate hydroxide

> <CAS>
11103-86-9

> <SYNONYMS>
Chromic acid, potassium zinc salt (2:2:1); Potassium hydroxyoctaoxodizincatedichromate(1-); Potassium zinc chromate; Potassium zinc chromate hydroxide; Potassium zinc chromate hydroxide (KZn2(CrO4)2(OH)); Zinc chromate; Zinc potassium chromate hydroxide; Zinc potassium chromic acid; Zinc yellow

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

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