Molecule

ID:13183

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄O₂
Molecular Mass
128.08946
Exact Mass
128.03342539
Charge
0
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1nnn[nH]1
Isomeric Smiles
c1([nH]nnn1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.0452206
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.0608397
LogD (pH = 7.4)
-5.7718644
Log P
-0.7556712
Molar Refractivity
29.1034
Polarizability
9.883074
Polar Surface Area
91.76
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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