Mrv0541 05041411492D          

 18  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9571    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9571   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -3.3000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -3.3000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    8.6036   -3.3000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -4.9500    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -4.9500    0.0000 Ta  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1  -1  18   1
M  END
> <DATABASE_ID>
DB04119

> <DATABASE_NAME>
drugbank

> <SMILES>
Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+]

> <INCHI_IDENTIFIER>
InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1

> <INCHI_KEY>
YWYIQTPPCOBSGN-UHFFFAOYSA-M

> <FORMULA>
Br12H11Ta6

> <MOLECULAR_WEIGHT>
2055.623

> <EXACT_MASS>
2043.794105192

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.999999999999999

> <JCHEM_AVERAGE_POLARIZABILITY>
3.35926422

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tantalum(1+) undecahydrobromide pentatantalum bromide

> <JCHEM_LOGP>
0.7978339843333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
8.5991

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04119

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03019

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Hexatantalum Dodecabromide

$$$$