Mrv2304 09272319382D          

  3  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Ce  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -2   2  -2   3   4
M  END
> <DATABASE_ID>
DB18493

> <DATABASE_NAME>
drugbank

> <SMILES>
[O--].[O--].[Ce+4]

> <INCHI_IDENTIFIER>
InChI=1S/Ce.2O/q+4;2*-2

> <INCHI_KEY>
OFJATJUUUCAKMK-UHFFFAOYSA-N

> <FORMULA>
CeO2

> <MOLECULAR_WEIGHT>
172.114

> <EXACT_MASS>
171.89527

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.015601662241829403

> <JCHEM_AVERAGE_POLARIZABILITY>
0.9475908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda4-cerium(4+) dioxidandiide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
4

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.699999999999998

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8000000000000003

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.1149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lambda4-cerium(4+) dioxidandiide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB18493

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Cerium dioxide

> <SYNONYMS>
Ceric oxide; Cerium oxide; Cerium(iv) oxide

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