Molecule

ID:79360

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-5(8)2-4(7)6-3-5/h8H,2-3H2,1H3,(H,6,7)
InChIKey
IKBAOKIBAADRKR-UHFFFAOYSA-N
Canonic Smiles
CC1(O)CC(=O)NC1
Isomeric Smiles
N1C(=O)CC(C1)(O)C
Calculated Properties
JChem
Acid pKa
14.090443
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2180288
LogD (pH = 7.4)
-1.2180289
Log P
-1.2180288
Molar Refractivity
28.1036
Polarizability
11.098675
Polar Surface Area
49.33
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
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Molecule Details
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References
Bioactivity
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