Molecule

ID:76575

General Information
Structure
Molecular Formula
C₃H₄N₂O₂
Molecular Mass
100.07606
Exact Mass
100.02727738
Charge
0
InChI
InChI=1S/C3H4N2O2/c1-2-3(6)5-7-4-2/h1H3,(H,5,6)
InChIKey
YSWCOZLKVYMBMP-UHFFFAOYSA-N
Canonic Smiles
Oc1nonc1C
Isomeric Smiles
n1c(c(no1)O)C
Calculated Properties
JChem
Acid pKa
4.2920456
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1142087
LogD (pH = 7.4)
-1.6456058
Log P
-0.015646528
Molar Refractivity
23.3145
Polarizability
8.006698
Polar Surface Area
59.15
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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