Molecule

ID:119181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3
InChIKey
SBIGSHCJXYGFMX-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCCCCC(=O)OC
Isomeric Smiles
C(=O)(OC)CCCCCCCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4310768
LogD (pH = 7.4)
3.4310768
Log P
3.4310768
Molar Refractivity
54.2908
Polarizability
21.513336
Polar Surface Area
26.3
Rotatable Bonds
9
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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