Molecule

ID:130030

General Information
Structure
Molecular Formula
C₂₀H₁₄
Molecular Mass
254.32516
Exact Mass
254.10955045
Charge
0
InChI
InChI=1S/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H
InChIKey
NGDCLPXRKSWRPY-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)C1c3c(C2c2c1cccc2)cccc3
Isomeric Smiles
c12ccccc1C1c3c(cccc3)C2c2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0519886
LogD (pH = 7.4)
5.0519886
Log P
5.0519886
Molar Refractivity
82.7036
Polarizability
31.700878
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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