Molecule

ID:111858

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀
Molecular Mass
176.2979
Exact Mass
176.15650064
Charge
0
InChI
InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
InChIKey
LBNXAWYDQUGHGX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccccc1
Isomeric Smiles
CCCCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.154079
LogD (pH = 7.4)
5.154079
Log P
5.154079
Molar Refractivity
58.7052
Polarizability
23.242281
Polar Surface Area
0.0
Rotatable Bonds
6
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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