Molecule
ID:51769
General Information
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-17-11-8-10(13(16)18-2)14-12(15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
ARNMGZKALBHAPS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)nc(n1)c1ccccc1
Isomeric Smiles
c1(nc(cc(n1)C(=O)OC)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8709307
LogD (pH = 7.4)
2.8709357
Log P
2.8709357
Molar Refractivity
76.5634
Polarizability
25.768927
Polar Surface Area
61.31
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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