Molecule

ID:34717

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
BALGERHMIXFENA-UHFFFAOYSA-N
Canonic Smiles
CCCCC1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(C1CCC(CC1)CCCC)O
Calculated Properties
JChem
Acid pKa
5.0472255
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9273164
LogD (pH = 7.4)
1.184175
Log P
3.5108817
Molar Refractivity
52.1975
Polarizability
20.77036
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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