Mrv1652301121721432D          

  4  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1  -1   2  -1   3  -1   4   3
M  END
> <DATABASE_ID>
DBSALT002132

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[Cl-].[Cl-].[Gd+3]

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.Gd/h3*1H;/q;;;+3/p-3

> <INCHI_KEY>
MEANOSLIBWSCIT-UHFFFAOYSA-K

> <FORMULA>
Cl3Gd

> <MOLECULAR_WEIGHT>
263.6

> <EXACT_MASS>
262.83067

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gadolinium(3+) ion trichloride

> <ALOGPS_LOGP>
1.52

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.55e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gadolinium(3+) ion trichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002132

> <NAME>
Gadolinium Chloride

> <DRUG_DRUGBANK_ID>
DB12091

> <DRUG_NAME>
Gadolinium

> <CAS_NUMBER>
10138-52-0

> <UNII>
P7082WY76D

$$$$