Molecule
ID:76160
General Information
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2,8H,1H3,(H,9,10)
InChIKey
GJUJIVCZCCXXOX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nn(c(c1)O)C
Isomeric Smiles
n1c(cc(n1C)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.140856
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1158001
LogD (pH = 7.4)
-3.7321203
Log P
0.2302648
Molar Refractivity
43.0798
Polarizability
12.033814
Polar Surface Area
75.35
Rotatable Bonds
1
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
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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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