Molecule

ID:22929

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-5-3-6-13(9-11)20-10-16(19)18-15-8-4-7-14(17)12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKey
LQKDXJOAOCILQM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OCC(=O)Nc1cccc(c1C)N
Isomeric Smiles
c1(c(NC(=O)COc2cc(ccc2)C)cccc1N)C
Calculated Properties
JChem
Acid pKa
12.602011
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9178395
LogD (pH = 7.4)
2.925673
Log P
2.9257765
Molar Refractivity
81.6659
Polarizability
30.148348
Polar Surface Area
64.35
Rotatable Bonds
4
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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