Molecule

ID:54130

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₄
Molecular Mass
243.29944
Exact Mass
243.14705816
Charge
0
InChI
InChI=1S/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKey
OBXXSRPAQLOXJN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCC(CC1)C(=O)OCC
Isomeric Smiles
C1N(CCC(C1)C(=O)OCC)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.10487918
LogD (pH = 7.4)
0.7285345
Log P
0.74666744
Molar Refractivity
63.49
Polarizability
25.19917
Polar Surface Area
55.84
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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