Molecule

ID:85835

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆
Molecular Mass
148.24474
Exact Mass
148.12520051
Charge
0
InChI
InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
XNXIYYFOYIUJIW-UHFFFAOYSA-N
Canonic Smiles
CC(CCc1ccccc1)C
Isomeric Smiles
CC(CCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1073923
LogD (pH = 7.4)
4.1073923
Log P
4.1073923
Molar Refractivity
49.4508
Polarizability
19.54899
Polar Surface Area
0.0
Rotatable Bonds
3
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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