Molecule

ID:53853

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₆
Molecular Mass
337.36762
Exact Mass
337.15253746
Charge
0
InChI
InChI=1S/C17H23NO6/c1-3-22-15(19)10-11-18(12-16(20)23-4-2)17(21)24-13-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
VEPJDXJBPAPOJL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN(C(=O)OCc1ccccc1)CCC(=O)OCC
Isomeric Smiles
N(CCC(=O)OCC)(CC(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9592115
LogD (pH = 7.4)
1.9592115
Log P
1.9592115
Molar Refractivity
86.3995
Polarizability
34.078358
Polar Surface Area
82.14
Rotatable Bonds
12
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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