Mrv0541 11271416312D          

 10  8  0  0  0  0            999 V2000
   -2.1878   -0.0323    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.0662   -1.0866    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6482   -0.6741    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.0608   -1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357    0.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627   -0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627    0.5634    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.3627    1.3885    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1878    0.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    0.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
M  CHG  3   1   2   2  -1   8  -1
M  END
> <DATABASE_ID>
T3D0716

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.7O.Zn/q;;;;;;;2*-1;+2

> <INCHI_KEY>
KHADWTWCQJVOQO-UHFFFAOYSA-N

> <FORMULA>
Cr2O7Zn

> <MOLECULAR_WEIGHT>
281.397

> <EXACT_MASS>
279.77457274

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
11.075792736295142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion [(oxidodioxochromio)oxy]chromiumoylolate

> <ALOGPS_LOGP>
-0.06

> <JCHEM_LOGP>
-3.7067999999999994

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
-1.6989700043360187

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.3010299956639813

> <JCHEM_POLAR_SURFACE_AREA>
123.63

> <JCHEM_REFRACTIVITY>
10.0076

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion chromate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0716

> <NAME>
Zinc dichromate

> <CAS>
14018-95-2

> <SYNONYMS>
Chromic acid  zinc salt (1:1); Dichromic acid  zinc salt (1:1); Zinc bichromate; Zinc chromium oxide; Zinc dichromate(VI); Zinc dichromic acid; ZnCrO7

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

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