Mrv1718007121817562D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.2500    0.0000 Ga  0  1  0  0  0  0  0  0  0  0  0  0
    0.8660    0.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  ISO  1   1  67
M  END
> <DATABASE_ID>
DB14550

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[Cl-].[Cl-].[67Ga+3]

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

> <INCHI_KEY>
UPWPDUACHOATKO-MPZFSRPWSA-K

> <FORMULA>
Cl3Ga

> <MOLECULAR_WEIGHT>
173.28

> <EXACT_MASS>
171.834763

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(67Ga)gallium(3+) trichloride

> <ALOGPS_LOGP>
1.95

> <JCHEM_LOGP>
0.0

> <ALOGPS_LOGS>
-1.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
3.73

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.68

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.12e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(67Ga)gallium(3+) trichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14550

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Gallium chloride Ga-67

> <SYNONYMS>
Gallium (67Ga) chloride; Gallium (Ga-67) chloride; Gallium chloride Ga 67; Gallium chloride, Ga-67; Gallium chloride,Ga-67

> <PRODUCTS>
Gallium Citrate Ga-67

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