Mrv1572004191604172D          

  6  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.8893    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.1196   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  6   1  -1   2  -1   3  -1   4  -1   5  -1   6   5
M  END
> <DATABASE_ID>
CHEM015012

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]

> <INCHI_IDENTIFIER>
InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5

> <INCHI_KEY>
OEIMLTQPLAGXMX-UHFFFAOYSA-I

> <FORMULA>
Cl5Ta

> <MOLECULAR_WEIGHT>
358.2

> <EXACT_MASS>
355.79226

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tantalum(5+) ion pentachloride

> <ALOGPS_LOGP>
3.21

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tantalum(5+) ion pentachloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Tantalum pentachloride

> <CAS>
7721-01-9

$$$$