Mrv1572004191601212D          

  5  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
    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 Ti  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1  -1   2  -1   3  -1   4  -1   5   4
M  END
> <DATABASE_ID>
CHEM004440

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]

> <INCHI_IDENTIFIER>
InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4

> <INCHI_KEY>
XJDNKRIXUMDJCW-UHFFFAOYSA-J

> <FORMULA>
Cl4Ti

> <MOLECULAR_WEIGHT>
189.67

> <EXACT_MASS>
187.823353

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
titanium(4+) ion tetrachloride

> <ALOGPS_LOGP>
3.03

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-2.35

> <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>
8.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
titanium(4+) ion tetrachloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Titanium chloride (TiCl4) (T-4)-

> <CAS>
7550-45-0

> <SYNONYMS>
Titanium tetrachloride

$$$$