Molecule

ID:118839

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(15)13-10(8-14)7-9-5-4-6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
YAYOAQZEBASQLZ-UHFFFAOYSA-N
Canonic Smiles
OCC(NC(=O)OC(C)(C)C)CC1CCC1
Isomeric Smiles
C(=O)(NC(CC1CCC1)CO)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.491528
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8280644
LogD (pH = 7.4)
1.8280644
Log P
1.8280644
Molar Refractivity
61.9753
Polarizability
24.640623
Polar Surface Area
58.56
Rotatable Bonds
6
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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