Molecule

ID:17768

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₂
Molecular Mass
239.3538
Exact Mass
239.18852905
Charge
0
InChI
InChI=1S/C14H25NO2/c16-14(17)11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,17)
InChIKey
JJBUINLKXFHHNU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(C1CCCCC1)C1CCCCC1
Isomeric Smiles
N(C1CCCCC1)(C1CCCCC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.0972993
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5357167
LogD (pH = 7.4)
0.5358406
Log P
0.5358482
Molar Refractivity
68.1011
Polarizability
27.093025
Polar Surface Area
40.54
Rotatable Bonds
4
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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