Mrv1652301121721412D          

 17 12  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
   -0.0000   -0.0000    0.0000 S   0  0  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
   -0.0000   -0.8250    0.0000 O   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
    4.7143   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 In  0  1  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 In  0  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  8   1  -1   5  -1   6  -1  10  -1  11  -1  15  -1  16   3  17   3
M  END
> <DATABASE_ID>
DBSALT002041

> <DATABASE_NAME>
drugbank

> <SMILES>
[In+3].[In+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

> <INCHI_KEY>
XGCKLPDYTQRDTR-UHFFFAOYSA-H

> <FORMULA>
In2O12S3

> <MOLECULAR_WEIGHT>
517.8

> <EXACT_MASS>
517.66294652

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278336816905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diindium(3+) ion trisulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <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>
0

> <JCHEM_TRADITIONAL_IUPAC>
diindium(3+) ion trisulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002041

> <NAME>
Indium Sulfate

> <DRUG_DRUGBANK_ID>
DB11659

> <DRUG_NAME>
Indium

> <CAS_NUMBER>
13464-82-9

> <UNII>
514CE39CG4

$$$$