(R)-N-oleoyltyrosinol   Click here for help

GtoPdb Ligand ID: 5720

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 69.56
Molecular weight 431.34
XLogP 8.77
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)O)CO
Isomeric SMILES CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)O)CO
InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9+/t25-/m1/s1
InChI Key ICDMLAQPOAVWNH-YHZGQTRVSA-N
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Molecular structure representations generated using Open Babel