Molecule

ID:69463

General Information
Structure
Molecular Formula
C₄H₄N₂O₂
Molecular Mass
112.08676
Exact Mass
112.02727738
Charge
0
InChI
InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey
DUFGYCAXVIUXIP-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc(c1)O
Isomeric Smiles
c1nc(cc(n1)O)O
Calculated Properties
JChem
Acid pKa
11.554726
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.6315193
LogD (pH = 7.4)
0.6314899
Log P
0.63151985
Molar Refractivity
27.3111
Polarizability
9.852744
Polar Surface Area
66.24
Rotatable Bonds
0
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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