Molecule

ID:109081

General Information
Structure
MolImage
Molecular Formula
CaO₃Ti
Molecular Mass
135.9432
Exact Mass
135.89528114
Charge
0
InChI
InChI=1S/Ca.3O.Ti/q+2;;2*-1;
InChIKey
AOWKSNWVBZGMTJ-UHFFFAOYSA-N
Canonic Smiles
[O-][Ti](=O)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-][Ti](=O)[O-]
Calculated Properties
JChem
Acid pKa
2.69897
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.578295
LogD (pH = 7.4)
-3.7371097
Log P
-1.4238
Molar Refractivity
4.3287
Polarizability
5.2817564
Polar Surface Area
63.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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