Molecule

ID:110371

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
InChIKey
ODNRTOSCFYDTKF-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)CC(C1)C
Isomeric Smiles
CC1CC(C)CC(C)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5284693
LogD (pH = 7.4)
3.5284693
Log P
3.5284693
Molar Refractivity
41.2518
Polarizability
16.623379
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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