Molecule

ID:112196

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₂
Molecular Mass
268.31044
Exact Mass
268.12117776
Charge
0
InChI
InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
CZVHCFKUXGRABC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C
Isomeric Smiles
CC(=O)Nc1ccc(cc1)c1ccc(NC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
14.037691
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.095892
LogD (pH = 7.4)
2.0958917
Log P
2.095892
Molar Refractivity
80.9202
Polarizability
31.047604
Polar Surface Area
58.2
Rotatable Bonds
3
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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