Molecule

ID:59230

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂
Molecular Mass
114.10264
Exact Mass
114.04292744
Charge
0
InChI
InChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKey
QAMJOTCGJONJDI-UHFFFAOYSA-N
Canonic Smiles
OCc1noc(n1)C
Isomeric Smiles
o1c(nc(n1)CO)C
Calculated Properties
JChem
Acid pKa
13.232464
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.28880933
LogD (pH = 7.4)
-0.28880996
Log P
-0.2888093
Molar Refractivity
27.4414
Polarizability
9.805479
Polar Surface Area
59.15
Rotatable Bonds
1
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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