rxn.chemutils.conversion.mol_to_inchi

rxn.chemutils.conversion.mol_to_inchi(mol, extended_tautomer_check=False)[source]

Convert an RDKit Mol to an InChI.

Parameters

mol (Mol) – the RDKit Mol to convert to InChI.
extended_tautomer_check (bool, default: False) – include the options for additional tautomer standardization.

Return type

str

Returns

InChI string.