Molecule

ID:112656

General Information
Structure
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5H,1,6-7H2,2-4H3
InChIKey
ZKXYHQFGFMZPPJ-UHFFFAOYSA-N
Canonic Smiles
CC1=CC(=C)CC(C1)(C)C
Isomeric Smiles
CC1=CC(=C)CC(C)(C)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0752912
LogD (pH = 7.4)
3.0752912
Log P
3.0752912
Molar Refractivity
46.3544
Polarizability
18.013159
Polar Surface Area
0.0
Rotatable Bonds
0
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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