Molecule

ID:50026

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-18-11-4-2-10(3-5-11)15-12-8-9(13(16)17)6-7-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKey
NFNZDFAVQAEUDV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Nc1nccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(ncc1)Nc1ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
4.390501
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.1017019
LogD (pH = 7.4)
-0.6418073
Log P
2.079558
Molar Refractivity
66.4202
Polarizability
25.020998
Polar Surface Area
71.45
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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