Molecule

ID:126024

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₃
Molecular Mass
128.08616
Exact Mass
128.022192
Charge
0
InChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
HNYOPLTXPVRDBG-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)NC(=O)N1
Isomeric Smiles
O=C1NC(=O)NC(=O)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-4.10
LogD (pH = 5.5)
-1.88
Log P
-1.27
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
5.04
Polar Surface Area
75.27
Polarizability
10.23
Molar Refractivity
25.97
LOG S
0.16
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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