Molecule

ID:53320

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈N₂O₃
Molecular Mass
240.21422
Exact Mass
240.05349213
Charge
0
InChI
InChI=1S/C13H8N2O3/c16-12-10-7-4-8-14-11(10)15(13(17)18-12)9-5-2-1-3-6-9/h1-8H
InChIKey
DYAATSZZCAOJLG-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(=O)c2c(n1c1ccccc1)nccc2
Isomeric Smiles
c1cnc2c(c1)c(=O)oc(=O)n2c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3749166
LogD (pH = 7.4)
2.3749177
Log P
2.3749177
Molar Refractivity
62.8764
Polarizability
23.922827
Polar Surface Area
59.5
Rotatable Bonds
1
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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