Molecule

ID:65269

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)4-2-3-5(4)7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKey
IMHXOVKGKHSNDO-CRCLSJGQSA-N
Canonic Smiles
COC(=O)[C@H]1CC[C@H]1N
Isomeric Smiles
[C@H]1(CC[C@@H]1C(=O)OC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1622455
LogD (pH = 7.4)
-2.11053
Log P
-0.19077964
Molar Refractivity
32.586
Polarizability
13.364334
Polar Surface Area
52.32
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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