Molecule

ID:3715

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O
Molecular Mass
170.29178
Exact Mass
170.16706532
Charge
0
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC=O
Isomeric Smiles
CCCCCCCCCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
3.88
LogD (pH = 5.5)
3.88
Log P
3.88
Rotatable Bonds
9
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
22.75
Molar Refractivity
53.15
LOG S
-3.90
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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