Mrv1718007031811322D          

  9  8  0  0  0  0            999 V2000
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  2  0  0  0  0
  7  6  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  2   8  -1   9  -1
M  END
> <DATABASE_ID>
DB14182

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O

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

> <INCHI_KEY>
SOCTUWSJJQCPFX-UHFFFAOYSA-N

> <FORMULA>
Cr2O7

> <MOLECULAR_WEIGHT>
215.986

> <EXACT_MASS>
215.846511

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
11.055552769459645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(oxidodioxochromio)oxy]chromiumoylolate

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-3.7067999999999994

> <ALOGPS_LOGS>
-1.73

> <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>
123.63000000000001

> <JCHEM_REFRACTIVITY>
10.0076

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14182

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Dichromate

> <SYNONYMS>
Bichromate; Dichromat; Dichromate ion; dichromate ion(2−); dichromate(2−)

> <PRODUCTS>
T.R.U.E. Test Thin-Layer Rapid Use Patch Test

> <SALTS>
Potassium dichromate

$$$$