Mrv0541 02241205232D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1638

> <DATABASE_NAME>
t3db

> <SMILES>
O=[V]=O

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

> <INCHI_KEY>
GRUMUEUJTSXQOI-UHFFFAOYSA-N

> <FORMULA>
O2V

> <MOLECULAR_WEIGHT>
82.9403

> <EXACT_MASS>
82.933792919

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194784183297976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxovanadium

> <JCHEM_LOGP>
-0.7028

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.02462779027774

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
vanadium dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1638

> <NAME>
Vanadium(IV) oxide

> <CAS>
12036-21-4

> <SYNONYMS>
Praseodymium oxide; Vanadium oxide; Vanadium oxide (VO2); VO2; [VO2]

> <TYPES>
Inorganic Compound; Vanadium Compound; Industrial/Workplace Toxin; Synthetic Compound

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