Molecule

ID:92195

General Information
Structure
Molecular Formula
C₂₈H₂₂
Molecular Mass
358.47428
Exact Mass
358.1721507
Charge
0
InChI
InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKey
KLCLIOISYBHYDZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)/C(=C/C=C(/c1ccccc1)\c1ccccc1)/c1ccccc1
Isomeric Smiles
C(=C(\c1ccccc1)/c1ccccc1)/C=C(/c1ccccc1)\c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.7067
LogD (pH = 7.4)
7.7067
Log P
7.7067
Molar Refractivity
138.9368
Polarizability
46.420776
Polar Surface Area
0.0
Rotatable Bonds
5
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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