Molecule

ID:110173

General Information
Structure
Molecular Formula
C₂₆H₁₈
Molecular Mass
330.42112
Exact Mass
330.14085058
Charge
0
InChI
InChI=1S/C26H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H
InChIKey
QXAIDADUIMVTPS-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)C(C1c3ccccc3c3c1cccc3)c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)C(C1c3ccccc3c3ccccc13)c1ccccc21
Calculated Properties
JChem
Acid pKa
14.687972
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.6992135
LogD (pH = 7.4)
6.6992135
Log P
6.6992135
Molar Refractivity
107.8398
Polarizability
44.29788
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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