Molecule

ID:112129

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₂
Molecular Mass
239.3538
Exact Mass
239.18852905
Charge
0
InChI
InChI=1S/C14H25NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-12H,4-10H2,1-3H3
InChIKey
UKHHFOBGFNUOCK-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)CC1CCCC(N1C)CC(=O)CC
Isomeric Smiles
CCC(=O)CC1CCCC(CC(=O)CC)N1C
Calculated Properties
JChem
Acid pKa
18.212223
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.31110042
LogD (pH = 7.4)
1.4177256
Log P
2.6503847
Molar Refractivity
69.3945
Polarizability
27.456673
Polar Surface Area
37.38
Rotatable Bonds
6
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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