Molecule

ID:110563

General Information
Structure
Molecular Formula
C₃₆H₂₆
Molecular Mass
458.59164
Exact Mass
458.20345083
Charge
0
InChI
InChI=1S/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
InChIKey
ZEMDSNVUUOCIED-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.2093725
LogD (pH = 7.4)
10.2093725
Log P
10.2093725
Molar Refractivity
151.739
Polarizability
66.155556
Polar Surface Area
0.0
Rotatable Bonds
5
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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