Molecule

ID:65923

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKey
BLWYXBNNBYXPPL-YFKPBYRVSA-N
Canonic Smiles
COC(=O)[C@@H]1CCCN1
Isomeric Smiles
N1CCC[C@H]1C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8883538
LogD (pH = 7.4)
-0.27990368
Log P
0.048752647
Molar Refractivity
32.8334
Polarizability
13.364334
Polar Surface Area
38.33
Rotatable Bonds
2
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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