Molecule

ID:112223

General Information
Structure
Molecular Formula
C₂₆H₁₆
Molecular Mass
328.40524
Exact Mass
328.12520051
Charge
0
InChI
InChI=1S/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16H
InChIKey
NVMYRXGXUBZAIU-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)/C(=C/1\c3ccccc3c3c1cccc3)/c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)c1ccccc1/C/2=C/1\c2ccccc2c2ccccc12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.527443
LogD (pH = 7.4)
6.527443
Log P
6.527443
Molar Refractivity
126.7746
Polarizability
44.406982
Polar Surface Area
0.0
Rotatable Bonds
0
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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