Molecule

ID:58387

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-7-5(9)3-2-4(8)6-7/h2-3H,1H3,(H,6,8)
InChIKey
UAECOHJYXUJDOF-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(O)ccc1=O
Isomeric Smiles
c1cc(=O)n(nc1O)C
Calculated Properties
JChem
Acid pKa
6.815376
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.19119108
LogD (pH = 7.4)
-0.8552656
Log P
-0.1706804
Molar Refractivity
32.0698
Polarizability
11.438342
Polar Surface Area
52.9
Rotatable Bonds
0
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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