Molecule

ID:111303

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O
Molecular Mass
168.2759
Exact Mass
168.15141526
Charge
0
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3
InChIKey
PANBRUWVURLWGY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC=CC=O
Isomeric Smiles
CCCCCCCC/C=C/C=O
Calculated Properties
JChem
LogD (pH = 7.4)
3.87
LogD (pH = 5.5)
3.87
Log P
3.87
Rotatable Bonds
8
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.20
Polar Surface Area
17.07
Polarizability
21.92
Molar Refractivity
54.25
LOG S
-4.27
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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