rxn.chemutils.conversion.mol_to_smiles

rxn.chemutils.conversion.mol_to_smiles(mol, canonical=True, isomericSmiles=True)[source]

Convert an RDKit Mol to a SMILES string.

Mainly a wrapper around MolToSmiles.

Parameters

  • mol (Mol) –

  • canonical (bool, default: True) –

  • isomericSmiles (bool, default: True) –

Return type

str