Molecule

ID:34844

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂
Molecular Mass
113.07482
Exact Mass
113.02252635
Charge
0
InChI
InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
InChIKey
SSPYSWLZOPCOLO-UHFFFAOYSA-N
Canonic Smiles
O=c1cn[nH]c(=O)[nH]1
Isomeric Smiles
[nH]1c(=O)[nH]ncc1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.21
LogD (pH = 5.5)
-0.98
Log P
-0.83
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
5.90
Polar Surface Area
70.56
Polarizability
8.70
Molar Refractivity
24.02
LOG S
-0.46
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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