Mrv1718001201810142D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.2062    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  ISO  1   1  90
M  END
> <DATABASE_ID>
DBSALT002630

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl[90Y](Cl)Cl

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

> <INCHI_KEY>
PCMOZDDGXKIOLL-SGNQUONSSA-K

> <FORMULA>
Cl3Y

> <MOLECULAR_WEIGHT>
196.26

> <EXACT_MASS>
194.8137095

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
9.610053477802925

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloro(90Y)yttrium

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
1.9034999999999995

> <ALOGPS_LOGS>
-1.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.408900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.97e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trichloro(90Y)yttrium

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002630

> <NAME>
Yttrium-90 chloride

> <DRUG_DRUGBANK_ID>
DB13076

> <DRUG_NAME>
Yttrium Y-90

> <CAS_NUMBER>
39271-65-3

> <UNII>
TN98A27Q17

$$$$