Hello Ali,
C16H14O10 is a molecular formula that only count atoms of a molecule that it is
the same for millions of molecules.
So there is no way to convert it to a given smiles.
You need to know what is your molecule (from a sdf,a molfile, etc...) to obtain
a smile representation.
Dr. Guillaume GODIN
Principal Scientist
________________________________
De : Ali Eftekhari <a.b.eftekh...@gmail.com>
Envoyé : samedi 11 août 2018 07:57
À : rdkit-discuss@lists.sourceforge.net
Objet : [Rdkit-discuss] Chemical Formula to SMILES
Hello,
I am new to rdkit and for the start I want to conver the chemical formula to
SMILES; for example I have 'C16H14O10', how can I get its SMILES?
Thanks
Ali
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