Mrv1652301121721412D          

 13  9  0  0  0  0            999 V2000
    0.7425   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2193    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3200    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  4   4  -1   8  -1  12  -1  13   3
M  END
> <DATABASE_ID>
DBSALT002039

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/3C2H4O2.In/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3

> <INCHI_KEY>
VBXWCGWXDOBUQZ-UHFFFAOYSA-K

> <FORMULA>
C6H9InO6

> <MOLECULAR_WEIGHT>
291.95

> <EXACT_MASS>
291.94379179

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955916234550971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
indium(3+) ion triacetate

> <ALOGPS_LOGP>
0.46

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-1.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.10e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
indium(3+) ion triacetate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002039

> <NAME>
Indium Acetate

> <DRUG_DRUGBANK_ID>
DB11659

> <DRUG_NAME>
Indium

> <CAS_NUMBER>
25114-58-3

> <UNII>
BNM20F6I0P

$$$$