norfluoxetine   Click here for help

GtoPdb Ligand ID: 208

Compound class: Synthetic organic
Comment: Active metabolite of fluoxetine. Norfluoxetine is a mixture of two stereoisomers, an R-form and an S-form, and the PDB links above each represent one of these stereoisomers.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 35.25
Molecular weight 295.12
XLogP 4.26
No. Lipinski's rules broken 0
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Canonical SMILES NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Isomeric SMILES NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
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InChI standard identifier Download
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Molecular structure representations generated using Open Babel