Molecule

ID:102521

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O₂
Molecular Mass
100.07606
Exact Mass
100.02727738
Charge
0
InChI
InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChIKey
WJRBRSLFGCUECM-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(=O)N1
Isomeric Smiles
O=C1CNC(=O)N1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.47
LogD (pH = 5.5)
-1.45
Log P
-1.45
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.68
Polar Surface Area
58.20
Polarizability
8.22
Molar Refractivity
21.05
LOG S
0.29
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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