Molecule

ID:52589

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₃
Molecular Mass
289.36942
Exact Mass
289.1677936
Charge
0
InChI
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
ITLCXSHKUNNAHG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(C(=O)C2CCN(CC2)C(=O)OC(C)(C)C)ccccc1
Calculated Properties
JChem
Acid pKa
16.261072
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9176643
LogD (pH = 7.4)
2.9176643
Log P
2.9176643
Molar Refractivity
81.8875
Polarizability
31.808836
Polar Surface Area
46.61
Rotatable Bonds
4
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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