Molecule

ID:80200

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2,8H,1H3,(H,6,10)
InChIKey
LIEBUXGPRGTSGI-UHFFFAOYSA-N
Canonic Smiles
Cn1c(O)nc(cc1=O)O
Isomeric Smiles
n1c(n(C)c(=O)cc1O)O
Calculated Properties
JChem
Acid pKa
5.776797
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13799676
LogD (pH = 7.4)
-1.5808097
Log P
0.32397076
Molar Refractivity
42.6662
Polarizability
12.142711
Polar Surface Area
73.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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