Mrv1718007121815302D          

  6  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    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
    1.6500   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cr  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  3   1  -1   5  -1   6   2
M  END
> <DATABASE_ID>
DB14530

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Cr.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
RYPRIXSYXLDSOA-UHFFFAOYSA-L

> <FORMULA>
CrO4S

> <MOLECULAR_WEIGHT>
148.05

> <EXACT_MASS>
147.892236

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278336816905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-chromium(2+) sulfate

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.8415520233333333

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.35e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-chromium(2+) sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14530

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002355

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Chromous sulfate

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