Molecule

ID:52850

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9)
InChIKey
WZTRQGJMMHMFGH-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(nc1)C(=O)O
Isomeric Smiles
c1c(ncn1C)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2343
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2744689
LogD (pH = 7.4)
-2.5285804
Log P
-1.1549283
Molar Refractivity
30.7937
Polarizability
11.341733
Polar Surface Area
55.12
Rotatable Bonds
1
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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