Molecule

ID:22894

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₂
Molecular Mass
264.36326
Exact Mass
264.18377802
Charge
0
InChI
InChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-15(18)17-13-11-12(16)9-10-14(13)19-2/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKey
DIUOBIKDEAEQSU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)CCCCCCC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.417125
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0814166
LogD (pH = 7.4)
3.1468322
Log P
3.1477382
Molar Refractivity
79.7165
Polarizability
29.913689
Polar Surface Area
64.35
Rotatable Bonds
8
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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