Molecule

ID:53377

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₃
Molecular Mass
283.28202
Exact Mass
283.09569129
Charge
0
InChI
InChI=1S/C15H13N3O3/c1-9(2)18-13-11(14(19)21-15(18)20)8-16-12(17-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
JFQUUOBFAUSLCW-UHFFFAOYSA-N
Canonic Smiles
CC(n1c(=O)oc(=O)c2c1nc(nc2)c1ccccc1)C
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2C(C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0976882
LogD (pH = 7.4)
3.0976896
Log P
3.0976896
Molar Refractivity
86.4985
Polarizability
29.248552
Polar Surface Area
72.39
Rotatable Bonds
2
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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