Molecule

ID:78241

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O₂
Molecular Mass
128.12922
Exact Mass
128.05857751
Charge
0
InChI
InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKey
YIROYDNZEPTFOL-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(N1)(C)C
Isomeric Smiles
N1C(=O)C(NC1=O)(C)C
Calculated Properties
JChem
Acid pKa
9.205943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.44877484
LogD (pH = 7.4)
-0.45534995
Log P
-0.44869033
Molar Refractivity
30.2533
Polarizability
11.731229
Polar Surface Area
58.2
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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