Molecule

ID:113085

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₃
Molecular Mass
229.31592
Exact Mass
229.1677936
Charge
0
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3
InChIKey
KDOINXYPVJQGPE-UHFFFAOYSA-N
Canonic Smiles
COCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)COC)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5121014
LogD (pH = 7.4)
1.5121014
Log P
1.5121014
Molar Refractivity
62.982
Polarizability
24.711428
Polar Surface Area
38.77
Rotatable Bonds
4
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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