Molecule

ID:119459

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h4-10H2,1H3,(H,12,13)
InChIKey
ZOYDMFOVPQMSPJ-UHFFFAOYSA-N
Canonic Smiles
CC#CCCCCCCCC(=O)O
Isomeric Smiles
C(#CCCCCCCCC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.7711043
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8159027
LogD (pH = 7.4)
1.0399641
Log P
3.618446
Molar Refractivity
53.44
Polarizability
20.401482
Polar Surface Area
37.3
Rotatable Bonds
8
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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