Molecule

ID:14189

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,13H2,1H3,(H,14,15)
InChIKey
KYIFBTMTQXRRCU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)NC(=O)c1ccco1
Isomeric Smiles
c1(NC(=O)c2ccco2)c(cc(cc1)N)C
Calculated Properties
JChem
Acid pKa
11.253431
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7995378
LogD (pH = 7.4)
1.8097351
Log P
1.8098727
Molar Refractivity
63.724
Polarizability
22.7179
Polar Surface Area
68.26
Rotatable Bonds
2
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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