Molecule

ID:14883

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-16-10-5-4-8(7-9(10)13)14-12(15)11-3-2-6-17-11/h2-7H,13H2,1H3,(H,14,15)
InChIKey
OAOFCCHQBQISGT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)NC(=O)c1ccco1
Isomeric Smiles
c1(NC(=O)c2ccco2)cc(c(cc1)OC)N
Calculated Properties
JChem
Acid pKa
11.216341
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1329491
LogD (pH = 7.4)
1.1386423
Log P
1.13878
Molar Refractivity
65.146
Polarizability
23.494673
Polar Surface Area
77.49
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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