Molecule

ID:102411

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O₂
Molecular Mass
128.12922
Exact Mass
128.05857751
Charge
0
InChI
InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKey
NBAKTGXDIBVZOO-UHFFFAOYSA-N
Canonic Smiles
CC1CNC(=O)NC1=O
Isomeric Smiles
CC1CNC(=O)NC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.67
LogD (pH = 5.5)
-0.67
Log P
-0.67
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.70
Polar Surface Area
58.20
Polarizability
12.05
Molar Refractivity
30.32
LOG S
0.01
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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