Mrv1909 09232017542D          

  5  4  0  0  0  0            999 V2000
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  5  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
    0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  2  0  0  0  0
M  CHG  2   3  -1   5  -1
M  END
> <DATABASE_ID>
DB15878

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
MEFBJEMVZONFCJ-UHFFFAOYSA-N

> <FORMULA>
MoO4

> <MOLECULAR_WEIGHT>
159.95

> <EXACT_MASS>
161.886161

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.999900009499

> <JCHEM_AVERAGE_POLARIZABILITY>
6.036749268644362

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxomolybdenumbis(olate)

> <JCHEM_LOGP>
-1.7751999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.301029995663981

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15878

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Molybdate

> <SYNONYMS>
Molybdate; Molybdate ion

$$$$