Molecule

ID:133877

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)7-5(4)9/h3H,1-2H3,(H,7,9,10)
InChIKey
GKMIDMKPBOUSBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(C)c(=O)[nH]c1=O
Isomeric Smiles
Cc1cn(c(=O)[nH]c1=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.24
LogD (pH = 5.5)
-0.24
Log P
-0.24
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.02
Polar Surface Area
49.41
Polarizability
13.50
Molar Refractivity
35.22
LOG S
-0.67
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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