Molecule

ID:84103

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₂
Molecular Mass
228.24658
Exact Mass
228.08987763
Charge
0
InChI
InChI=1S/C13H12N2O2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h1-8,16H,14H2,(H,15,17)
InChIKey
ACVACKIEZDGXND-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)NC(=O)c1ccccc1O
Isomeric Smiles
N(c1ccc(cc1)N)C(=O)c1c(cccc1)O
Calculated Properties
JChem
Acid pKa
7.930266
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.9227021
LogD (pH = 7.4)
1.8212587
Log P
1.9326394
Molar Refractivity
68.2728
Polarizability
24.679329
Polar Surface Area
75.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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