Molecule

ID:109027

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₆O₄Ti
Molecular Mass
340.32164
Exact Mass
340.20930593
Charge
0
InChI
InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
InChIKey
YHWCPXVTRSHPNY-UHFFFAOYSA-N
Canonic Smiles
CCCCO[Ti](OCCCC)(OCCCC)OCCCC
Isomeric Smiles
CCCCO[Ti](OCCCC)(OCCCC)OCCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.5964
LogD (pH = 7.4)
5.5964
Log P
5.5964
Molar Refractivity
83.682
Polarizability
36.443153
Polar Surface Area
36.92
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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