Mrv1909 08301915442D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Zr  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15479

> <DATABASE_NAME>
drugbank

> <SMILES>
O[Zr]Cl

> <INCHI_IDENTIFIER>
InChI=1S/ClH.H2O.Zr/h1H;1H2;/q;;+2/p-2

> <INCHI_KEY>
BLKLTTCUAPDQEG-UHFFFAOYSA-L

> <FORMULA>
ClHOZr

> <MOLECULAR_WEIGHT>
143.68

> <EXACT_MASS>
141.87629

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.878405127841888

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chlorozirconiumol

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
0.09830000000000004

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.27449687786852

> <JCHEM_PKA_STRONGEST_BASIC>
-2.678735065620308

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
8.7009

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium taurocholate

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15479

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Zirconium chloride hydroxide

> <SYNONYMS>
Zirconium chlorohydrate; Zirconium hydroxychloride; Zirconyl hydroxychloride

> <PRODUCTS>
Secret Spring Breeze Scent Antipersp Roll-ON

$$$$