Mrv1572004251606182D          

  5  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.7125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   2   2  -2   3  -2   4  -2   5   4
M  END
> <DATABASE_ID>
CHEM009566

> <DATABASE_NAME>
chemdb

> <SMILES>
[O--].[O--].[O--].[Mg++].[Ti+4]

> <INCHI_IDENTIFIER>
InChI=1S/Mg.3O.Ti/q+2;3*-2;+4

> <INCHI_KEY>
XSETZKVZGUWPFM-UHFFFAOYSA-N

> <FORMULA>
MgO3Ti

> <MOLECULAR_WEIGHT>
120.169

> <EXACT_MASS>
119.917728

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
titanium(4+) ion magnesium(2+) ion trioxidandiide

> <JCHEM_LOGP>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
titanium(4+) ion magnesium(2+) ion trioxidandiide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Magnesium titanium oxide (MgTiO3)

> <CAS>
12032-30-3

$$$$