Molecule

ID:59794

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-18-13(17)9-15-12(16)8-7-11(14-15)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
JLFXLYDKBDJTQE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1nc(ccc1=O)c1ccccc1
Isomeric Smiles
n1(nc(ccc1=O)c1ccccc1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2074353
LogD (pH = 7.4)
1.207436
Log P
1.207436
Molar Refractivity
66.4538
Polarizability
24.9563
Polar Surface Area
58.97
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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