Molecule

ID:23330

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-2-3-6-13-22-17-8-5-4-7-16(17)18(21)20-15-11-9-14(19)10-12-15/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21)
InChIKey
RFTFDEYKWSNBCD-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1c(OCCCCC)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.247463
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.839239
LogD (pH = 7.4)
3.8468966
Log P
3.847001
Molar Refractivity
91.2297
Polarizability
33.965347
Polar Surface Area
64.35
Rotatable Bonds
7
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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