Molecule

ID:45558

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-4(7)8-5-2-6-3-5/h5-6H,2-3H2,1H3
InChIKey
FKSYYQMXMYAMOE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC1CNC1
Isomeric Smiles
N1CC(OC(=O)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2665048
LogD (pH = 7.4)
-1.5603899
Log P
-0.55361295
Molar Refractivity
27.8384
Polarizability
11.534429
Polar Surface Area
38.33
Rotatable Bonds
2
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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