Molecule

ID:90489

General Information
Structure
Molecular Formula
C₂₀H₁₄
Molecular Mass
254.32516
Exact Mass
254.10955045
Charge
0
InChI
InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
InChIKey
LUBXLGUQZVKOFP-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1c2ccccc2cc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c1c(c2)cccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.599425
LogD (pH = 7.4)
5.599425
Log P
5.599425
Molar Refractivity
84.0946
Polarizability
36.935463
Polar Surface Area
0.0
Rotatable Bonds
1
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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