Molecule

ID:88494

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₂
Molecular Mass
227.3431
Exact Mass
227.18852905
Charge
0
InChI
InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15)
InChIKey
IUWVYVOQTFVXKL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC1COC(=O)N1
Isomeric Smiles
N1C(=O)OCC1CCCCCCCCCC
Calculated Properties
JChem
Acid pKa
13.384887
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.136801
LogD (pH = 7.4)
4.1368003
Log P
4.136801
Molar Refractivity
64.768
Polarizability
25.84365
Polar Surface Area
38.33
Rotatable Bonds
9
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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