Molecule

ID:128894

General Information
Structure
Molecular Formula
C₂₀H₁₂
Molecular Mass
252.30928
Exact Mass
252.09390038
Charge
0
InChI
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChIKey
CSHWQDPOILHKBI-UHFFFAOYSA-N
Canonic Smiles
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2
Isomeric Smiles
c1ccc2cccc3c2c1c1cccc2cccc3c12
Calculated Properties
JChem
LogD (pH = 7.4)
5.27
LogD (pH = 5.5)
5.27
Log P
5.27
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
28.87
Molar Refractivity
83.17
LOG S
-8.42
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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