Molecule

ID:74460

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey
ZDPHROOEEOARMN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(CCCCCCCCCC)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.62
LogD (pH = 5.5)
3.38
Log P
4.03
Rotatable Bonds
9
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
23.73
Molar Refractivity
54.08
LOG S
-4.07
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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