Molecule

ID:59342

General Information
Structure
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
InChIKey
LHRIUKSRPHFASO-UHFFFAOYSA-N
Canonic Smiles
Cc1ncnc(c1)O
Isomeric Smiles
c1(ncnc(c1)O)C
Calculated Properties
JChem
Acid pKa
12.482131
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.47197983
LogD (pH = 7.4)
0.47199407
Log P
0.47199783
Molar Refractivity
29.6082
Polarizability
10.929855
Polar Surface Area
46.01
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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