Molecule

ID:128896

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Ti
Molecular Mass
208.12244
Exact Mass
208.07314681
Charge
0
InChI
InChI=1S/2C5H5.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q2*-1;;;+2
InChIKey
AFEQRLILWYRIDQ-UHFFFAOYSA-N
Canonic Smiles
[CH-]1C=CC=C1.[CH-]1C=CC=C1.C[Ti+2]C
Isomeric Smiles
C1=CC=C[CH-]1.C1=CC=C[CH-]1.[Ti+2](C)C
Calculated Properties
JChem
Acid pKa
16.226988
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.499
LogD (pH = 7.4)
1.499
Log P
2.248
Molar Refractivity
21.715
Polarizability
8.791516
Polar Surface Area
0.0
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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