Molecule

ID:79965

General Information
Structure
Molecular Formula
C₁₁H₁₆
Molecular Mass
148.24474
Exact Mass
148.12520051
Charge
0
InChI
InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKey
PWATWSYOIIXYMA-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccccc1
Isomeric Smiles
CCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2649417
LogD (pH = 7.4)
4.2649417
Log P
4.2649417
Molar Refractivity
49.5032
Polarizability
19.549006
Polar Surface Area
0.0
Rotatable Bonds
4
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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