Molecule

ID:56063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c1-2-16-10(15)8-4-12-13-5-7(6-14)3-11-9(8)13/h3-6H,2H2,1H3
InChIKey
TZUNKGZQWMSNBR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1ncc(c2)C=O
Isomeric Smiles
c1n2c(ncc1C=O)c(cn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7257576
LogD (pH = 7.4)
0.72575986
Log P
0.72575986
Molar Refractivity
67.1315
Polarizability
20.655521
Polar Surface Area
73.56
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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