Molecule

ID:111093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₂
Molecular Mass
227.3431
Exact Mass
227.18852905
Charge
0
InChI
InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-13(15)14-9-11-16-12-10-14/h2-12H2,1H3
InChIKey
NBRDJXSTGSUITP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)N1CCOCC1
Isomeric Smiles
CCCCCCCCC(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.56651
LogD (pH = 7.4)
2.5665112
Log P
2.5665112
Molar Refractivity
65.5667
Polarizability
25.84365
Polar Surface Area
29.54
Rotatable Bonds
7
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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