Molecule
ID:112718
General Information
Molecular Formula
C₁₁H₁₆
Molecular Mass
148.24474
Exact Mass
148.12520051
Charge
0
InChI
InChI=1S/C11H16/c1-3-10(4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
PBWHJRFXUPLZDS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)CC
Isomeric Smiles
CCC(CC)c1ccccc1
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
19.547943
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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