Molecule

ID:109989

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆
Molecular Mass
196.28754
Exact Mass
196.12520051
Charge
0
InChI
InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
MILSYCKGLDDVLM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccccc1)C
Isomeric Smiles
CC(C)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6521063
LogD (pH = 7.4)
4.6521063
Log P
4.6521063
Molar Refractivity
75.3133
Polarizability
25.50031
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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