Molecule

ID:112218

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆
Molecular Mass
196.28754
Exact Mass
196.12520051
Charge
0
InChI
InChI=1S/C15H16/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey
XLWCIHPMASUXPI-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)Cc1ccccc1
Isomeric Smiles
CC(Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.80
LogD (pH = 5.5)
4.80
Log P
4.80
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
23.01
Molar Refractivity
64.94
LOG S
-4.34
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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