Molecule

ID:54291

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O₂
Molecular Mass
128.12922
Exact Mass
128.05857751
Charge
0
InChI
InChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKey
BJSCOTHGFJMOOE-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(C1)C(=O)N
Isomeric Smiles
C1(=O)NCC(C1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.234241
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0079
LogD (pH = 7.4)
-2.0079
Log P
-2.0079
Molar Refractivity
30.166
Polarizability
11.731229
Polar Surface Area
72.19
Rotatable Bonds
1
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
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References
Bioactivity
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