Mrv1572004191601182D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Th  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004337

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.[Th]

> <INCHI_IDENTIFIER>
InChI=1S/2H2O.Th/h2*1H2;

> <INCHI_KEY>
XQDZAGBVPFAWBE-UHFFFAOYSA-N

> <FORMULA>
H4O2Th

> <MOLECULAR_WEIGHT>
268.068

> <EXACT_MASS>
268.05919

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dihydrate thorium

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dihydrate thorium

> <JCHEM_VEBER_RULE>
1

> <NAME>
Thorium dioxide

> <CAS>
1314-20-1

> <SYNONYMS>
Thorium oxide (ThO2)

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