Molecule

ID:73730

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃O₃
Molecular Mass
231.20746
Exact Mass
231.06439116
Charge
0
InChI
InChI=1S/C11H9N3O3/c1-5-9(6(2)15)10-8(14(5)16)4-3-7-11(10)13-17-12-7/h3-4,16H,1-2H3
InChIKey
YEOVCYIWTIZJMV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(C)n(c2c1c1nonc1cc2)O
Isomeric Smiles
o1nc2c(n1)c1c(n(c(c1C(=O)C)C)O)cc2
Calculated Properties
JChem
Acid pKa
11.593729
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5069339
LogD (pH = 7.4)
0.5069066
Log P
0.5069343
Molar Refractivity
61.9491
Polarizability
24.299469
Polar Surface Area
81.15
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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