Mrv1718010261712392D          

  7  4  0  0  0  0            999 V2000
   -0.5562    0.3854    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562    1.2104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2687    0.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5562   -0.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    0.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312   -1.5021    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.3812    1.5021    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
M  CHG  4   2  -1   3  -1   6   1   7   1
M  END
> <DATABASE_ID>
DBSALT002579

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].[O-][Se]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2

> <INCHI_KEY>
MHQOTKLEMKRJIR-UHFFFAOYSA-L

> <FORMULA>
Na2O4Se

> <MOLECULAR_WEIGHT>
188.94

> <EXACT_MASS>
189.875719666

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
6.120446175930373

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium selenate

> <JCHEM_LOGP>
-1.6279

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8010299956639813

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.8010299956639804

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
18.886500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium selenate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002579

> <NAME>
Sodium selenate

> <DRUG_DRUGBANK_ID>
DB11068

> <DRUG_NAME>
Selenic acid

> <CAS_NUMBER>
13410-01-0

> <UNII>
5DQP25600A

$$$$