Molecule
ID:121115
General Information
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c1-10-3(8)2-5-4(9)7-6-2/h1H3,(H2,5,6,7,9)
InChIKey
AGPKBXZPKSLZOJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(n[nH]1)O
Isomeric Smiles
n1c([nH]nc1O)C(=O)OC
Calculated Properties
JChem
Acid pKa
5.638962
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.08228834
LogD (pH = 7.4)
-1.2393223
Log P
0.14715272
Molar Refractivity
32.3489
Polarizability
11.560277
Polar Surface Area
88.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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