Mrv1572004191604182D          

  4  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Ce  0  1  0  0  0  0  0  0  0  0  0  0
   -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
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  END
> <DATABASE_ID>
CHEM015055

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
VYLVYHXQOHJDJL-UHFFFAOYSA-K

> <FORMULA>
CeCl3

> <MOLECULAR_WEIGHT>
246.47

> <EXACT_MASS>
244.812

> <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>
cerium(3+) ion trichloride

> <ALOGPS_LOGP>
1.59

> <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>
3.42e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cerium(3+) ion trichloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cerium(III) chloride

> <CAS>
7790-86-5

$$$$