Mrv0541 05041412452D          

 11 10  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
M  CHG  1   1  -1
M  END
> <DATABASE_ID>
DB04219

> <DATABASE_NAME>
drugbank

> <SMILES>
O[V](=O)(O[V]([O-])=O)O[V](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O.7O.3V/h1H2;;;;;;;;;;/q;;;;;;;-1;;;+1/p-1

> <INCHI_KEY>
YEAGUQJQPBKCCU-UHFFFAOYSA-M

> <FORMULA>
HO8V3

> <MOLECULAR_WEIGHT>
281.8276

> <EXACT_MASS>
281.799033033

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9998500124988752

> <JCHEM_AVERAGE_POLARIZABILITY>
14.532213513292504

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-3,5,5-trioxotrivanadoxan-1-oylolate

> <JCHEM_LOGP>
-1.9355999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.3010299960974696

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.698970005636485

> <JCHEM_PKA_STRONGEST_BASIC>
-5.699776409531733

> <JCHEM_POLAR_SURFACE_AREA>
130.03

> <JCHEM_REFRACTIVITY>
12.479500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04219

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03215

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Trivanadate

$$$$