Molecule

ID:88445

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKey
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)OC
Isomeric Smiles
O(C(=O)CCCCCCCCC)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.74
LogD (pH = 5.5)
3.74
Log P
3.74
Rotatable Bonds
9
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
23.64
Molar Refractivity
54.25
LOG S
-3.75
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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