Molecule

ID:80763

General Information
Structure
Molecular Formula
C₁₂H₁₆
Molecular Mass
160.25544
Exact Mass
160.12520051
Charge
0
InChI
InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
IGARGHRYKHJQSM-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)c1ccccc1
Isomeric Smiles
c1ccccc1C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.088235
LogD (pH = 7.4)
4.088235
Log P
4.088235
Molar Refractivity
52.2496
Polarizability
20.64609
Polar Surface Area
0.0
Rotatable Bonds
1
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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