Molecule

ID:79428

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14H,1-12H2
InChIKey
ODLPPPHRABBMTF-UHFFFAOYSA-N
Canonic Smiles
N#CCCC1CCCCCCCCCCC1=O
Isomeric Smiles
N#CCCC1C(=O)CCCCCCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.325437
LogD (pH = 7.4)
4.325437
Log P
4.325437
Molar Refractivity
70.2746
Polarizability
27.544813
Polar Surface Area
40.86
Rotatable Bonds
2
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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