Molecule

ID:87358

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₃
Molecular Mass
128.08616
Exact Mass
128.022192
Charge
0
InChI
InChI=1S/C4H4N2O3/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8)
InChIKey
HLHGBUDVJAFBRN-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(co1)C(=O)O
Isomeric Smiles
o1c(nc(c1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.6775355
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0686394
LogD (pH = 7.4)
-2.8464813
Log P
-0.18610552
Molar Refractivity
27.8253
Polarizability
10.05129
Polar Surface Area
89.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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