Molecule

ID:115346

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₄
Molecular Mass
235.19616
Exact Mass
235.05930578
Charge
0
InChI
InChI=1S/C10H9N3O4/c1-17-7(14)5-13-9(15)8-6(12-10(13)16)3-2-4-11-8/h2-4H,5H2,1H3,(H,12,16)
InChIKey
QPNFTZGOHPABQS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1c(=O)[nH]c2c(c1=O)nccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)nccc2)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.724332
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4126741
LogD (pH = 7.4)
0.41248336
Log P
0.4126789
Molar Refractivity
56.9976
Polarizability
21.052473
Polar Surface Area
88.6
Rotatable Bonds
3
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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