Molecule

ID:108574

General Information
Structure
Molecular Formula
C₂₂H₁₆
Molecular Mass
280.36244
Exact Mass
280.12520051
Charge
0
InChI
InChI=1S/C22H16/c1-2-9-17(10-3-1)11-8-16-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-16H
InChIKey
FDELSKWIDIUQDN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)/C=C/C=C/1\c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc(cc1)/C=C/C=C\1/c2ccccc2c2ccccc12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9474807
LogD (pH = 7.4)
5.9474807
Log P
5.9474807
Molar Refractivity
104.4623
Polarizability
37.50673
Polar Surface Area
0.0
Rotatable Bonds
2
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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