Molecule

ID:67943

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₃
Molecular Mass
229.31592
Exact Mass
229.1677936
Charge
0
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3
InChIKey
YFYSPIRFZKBBAU-UHFFFAOYSA-N
Canonic Smiles
OCC1(C)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(C)CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.114176
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2469758
LogD (pH = 7.4)
1.2469758
Log P
1.2469758
Molar Refractivity
62.6289
Polarizability
24.640623
Polar Surface Area
49.77
Rotatable Bonds
3
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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