Molecule

ID:105728

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃NO₂
Molecular Mass
201.30582
Exact Mass
201.17287898
Charge
0
InChI
InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
InChIKey
GUOSQNAUYHMCRU-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCCCC(=O)O
Isomeric Smiles
NCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.6520185
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.18050034
LogD (pH = 7.4)
0.2265304
Log P
0.22594628
Molar Refractivity
57.6648
Polarizability
23.025103
Polar Surface Area
63.32
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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