Molecule

ID:126086

General Information
Structure
Molecular Formula
C₂₀H₁₂
Molecular Mass
252.30928
Exact Mass
252.09390038
Charge
0
InChI
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
InChIKey
HAXBIWFMXWRORI-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2
Isomeric Smiles
c1ccc2cc3c(cc2c1)c1cccc2c1c3ccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.273404
LogD (pH = 7.4)
5.273404
Log P
5.273404
Molar Refractivity
83.1728
Polarizability
37.737766
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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