Mrv1909 02052120482D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.2063    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <DATABASE_ID>
DB16552

> <DATABASE_NAME>
drugbank

> <SMILES>
O=[Zr]=O

> <INCHI_IDENTIFIER>
InChI=1S/2O.Zr

> <INCHI_KEY>
MCMNRKCIXSYSNV-UHFFFAOYSA-N

> <FORMULA>
O2Zr

> <MOLECULAR_WEIGHT>
123.222

> <EXACT_MASS>
121.89453

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194784183297975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxozirconium

> <JCHEM_LOGP>
-0.7028

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.71110823219163

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB16552

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Zirconium dioxide

> <SYNONYMS>
Zirconia; Zirconium oxide; ZrO2

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