Molecule

ID:14052

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c5-4-2(1-3(8)9)6-10-7-4/h1H2,(H2,5,7)(H,8,9)
InChIKey
KUURKRCUNDGXDG-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1CC(=O)O
Isomeric Smiles
c1(c(non1)N)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.2562287
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.873101
LogD (pH = 7.4)
-4.0837913
Log P
-0.64877874
Molar Refractivity
32.3781
Polarizability
11.095613
Polar Surface Area
102.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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