Molecule

ID:63541

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-5(2)3-8-4(7)6-5/h3H2,1-2H3,(H,6,7)
InChIKey
SYARCRAQWWGZKY-UHFFFAOYSA-N
Canonic Smiles
O=C1OCC(N1)(C)C
Isomeric Smiles
C1(C)(C)COC(=O)N1
Calculated Properties
JChem
Acid pKa
12.927688
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.33830562
LogD (pH = 7.4)
0.3383045
Log P
0.33830562
Molar Refractivity
28.0742
Polarizability
11.166473
Polar Surface Area
38.33
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
No Data Available
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Molecule Details
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References
Bioactivity
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