Molecule

ID:14006

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₃
Molecular Mass
128.08616
Exact Mass
128.022192
Charge
0
InChI
InChI=1S/C4H4N2O3/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8)
InChIKey
GAIAHHRZVGJYQW-UHFFFAOYSA-N
Canonic Smiles
Cc1nonc1C(=O)O
Isomeric Smiles
c1(c(non1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5316384
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2243438
LogD (pH = 7.4)
-3.628799
Log P
-0.2631055
Molar Refractivity
27.9043
Polarizability
9.848818
Polar Surface Area
76.22
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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