Mrv1718007121816182D          

  5  4  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
    0.7145    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  2   2  -1   3  -1
M  ISO  1   1  51
M  END
> <DATABASE_ID>
DB14537

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-][51Cr]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Cr.4O/q;;;2*-1/i1-1;;;;

> <INCHI_KEY>
ZCDOYSPFYFSLEW-HONVGLGOSA-N

> <FORMULA>
CrO4

> <MOLECULAR_WEIGHT>
114.942

> <EXACT_MASS>
114.925527407

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
6.036749268894994

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxo(51Cr)chromiumbis(olate)

> <ALOGPS_LOGP>
-0.65

> <JCHEM_LOGP>
-2.5252

> <ALOGPS_LOGS>
0.27

> <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>
2.83e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dioxo(51Cr)chromiumbis(olate)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14537

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Chromate ion Cr-51

$$$$