Molecule

ID:45756

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-2-6(8)9-5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKey
TZGHYXIOSCZIGJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC1CNC1
Isomeric Smiles
N1CC(OC(=O)CC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5659583
LogD (pH = 7.4)
-0.8598406
Log P
0.1469229
Molar Refractivity
32.4653
Polarizability
13.364334
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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