Molecule

ID:43910

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-2-20-16(19)13-3-5-15(6-4-13)21-12-11-17-9-7-14(18)8-10-17/h3-6,14,18H,2,7-12H2,1H3
InChIKey
QAXIGWAZBJFECN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OCCN1CCC(CC1)O
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCC(CC1)O)OCC
Calculated Properties
JChem
Acid pKa
15.179285
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.073383
LogD (pH = 7.4)
0.69980234
Log P
1.5125636
Molar Refractivity
81.0385
Polarizability
31.57985
Polar Surface Area
59.0
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
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Molecule Details
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References
Bioactivity
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