Molecule

ID:53763

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-17-8-6-12(7-9-17)11-21-14-5-4-13(16(18)20-3)10-15(14)19-2/h4-5,10,12H,6-9,11H2,1-3H3
InChIKey
FSRPHDCRLVCNAS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)OCC1CCN(CC1)C
Isomeric Smiles
C(=O)(c1cc(c(OCC2CCN(CC2)C)cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1160781
LogD (pH = 7.4)
0.4070236
Log P
2.148787
Molar Refractivity
81.2788
Polarizability
31.637152
Polar Surface Area
48.0
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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