Molecule

ID:112328

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey
OXOLZWHOQAEIAW-UHFFFAOYSA-N
Canonic Smiles
CCC(/C=C(/CC)\C)C
Isomeric Smiles
CCC(C)/C=C(\C)/CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7441652
LogD (pH = 7.4)
3.7441652
Log P
3.7441652
Molar Refractivity
43.9564
Polarizability
17.142464
Polar Surface Area
0.0
Rotatable Bonds
3
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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