Molecule

ID:78940

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)
InChIKey
CUYZUESBPHQWRI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1noc(c1)C
Isomeric Smiles
n1c(cc(o1)C)NC(=O)C
Calculated Properties
JChem
Acid pKa
11.304084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36951947
LogD (pH = 7.4)
0.36946896
Log P
0.36952043
Molar Refractivity
37.8262
Polarizability
13.042439
Polar Surface Area
55.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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