You've specified that the ring is aromatic in your smiles input. Did you mean "C1CCC2C(C1)OC(N2)=O"?
*dan nealschneider* | senior developer [image: Schrodinger Logo] <https://www.schrodinger.com/> On Wed, Oct 30, 2019 at 12:00 PM Hao <shenha...@gmail.com> wrote: > Hello, > > It seems like RDKit is making my molecule aromatic when I don't think it > should it. Here's the original smiles: c1ccc2c(c1)OC(N2)=O. A snippet of > the workflow: > [image: image.png] > As you can see it makes the 5 membered ring aromatic. My chemistry isn't > strong, so if someone can elucidate what I'm seeing, that would be > very helpful. > > Thanks! > Hao > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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