Molecule

ID:17630

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂
Molecular Mass
113.07482
Exact Mass
113.02252635
Charge
0
InChI
InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
InChIKey
GTODOEDLCNTSLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn[nH]1
Isomeric Smiles
c1(C(=O)O)cnn[nH]1
Calculated Properties
JChem
Acid pKa
3.0287583
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4962726
LogD (pH = 7.4)
-3.5286198
Log P
-0.0600128
Molar Refractivity
24.9866
Polarizability
8.834346
Polar Surface Area
78.87
Rotatable Bonds
1
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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