Molecule

ID:92097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c1-12-10(16)13(8(11-12)9(14)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)
InChIKey
KZBYOBPYQMGMEL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nn(c(=O)n1c1ccccc1)C
Isomeric Smiles
n1c(n(c2ccccc2)c(=O)n1C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5120485
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3736386
LogD (pH = 7.4)
-2.0058079
Log P
1.5050464
Molar Refractivity
54.5315
Polarizability
20.624626
Polar Surface Area
73.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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