Molecule

ID:23078

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-3-4-11-22-16-8-5-14(6-9-16)18(21)20-17-10-7-15(19)12-13(17)2/h5-10,12H,3-4,11,19H2,1-2H3,(H,20,21)
InChIKey
AQDIMXJWSPLRCK-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)c1ccc(cc1)OCCCC
Calculated Properties
JChem
Acid pKa
12.951829
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9006052
LogD (pH = 7.4)
3.9156573
Log P
3.9158537
Molar Refractivity
91.6699
Polarizability
33.884975
Polar Surface Area
64.35
Rotatable Bonds
6
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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