Mrv1718001201814282D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.2500    0.0000 Lu  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   1 177
M  END
> <DATABASE_ID>
DBSALT002634

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[Cl-].[Cl-].[177Lu+3]

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.Lu/h3*1H;/q;;;+3/p-3/i;;;1+2

> <INCHI_KEY>
AEDROEGYZIARPU-SUNKFXMWSA-K

> <FORMULA>
Cl3Lu

> <MOLECULAR_WEIGHT>
283.29

> <EXACT_MASS>
281.8503131

> <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>
(177Lu)lutetium(3+) trichloride

> <ALOGPS_LOGP>
1.44

> <JCHEM_LOGP>
0.0

> <ALOGPS_LOGS>
-0.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(177Lu)lutetium(3+) trichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002634

> <NAME>
Lutetium chloride Lu-177

> <DRUG_DRUGBANK_ID>
DB13982

> <DRUG_NAME>
Lutetium Lu-177

> <CAS_NUMBER>
16434-14-3

> <UNII>
1U477369SN

$$$$