Molecule

ID:117123

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₂O₃-
Molecular Mass
127.07822
Exact Mass
127.01436697
Charge
-1
InChI
InChI=1S/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)/p-1
InChIKey
QPXQPPXGTQABCW-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1nnc(o1)C
Isomeric Smiles
c1(nnc(o1)C)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.5984802
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.6973562
LogD (pH = 7.4)
-4.393984
Log P
-0.8871219
Molar Refractivity
38.9948
Polarizability
9.736218
Polar Surface Area
79.05
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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