Molecule

ID:70873

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₂
Molecular Mass
112.08676
Exact Mass
112.02727738
Charge
0
InChI
InChI=1S/C4H4N2O2/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8)
InChIKey
URCOLWAKIPNTEM-UHFFFAOYSA-N
Canonic Smiles
Oc1c[nH]cnc1=O
Isomeric Smiles
c1nc(=O)c(c[nH]1)O
Calculated Properties
JChem
Acid pKa
9.561921
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1456457
LogD (pH = 7.4)
-1.1484077
Log P
-1.1456103
Molar Refractivity
26.6266
Polarizability
9.792486
Polar Surface Area
61.69
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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