get_molecular_formula#

get_molecular_formula(mol, make_hydrogens_implicit=False)[source]#

Get molecular formula with elements sorted in alphabetical order.

Parameters:
  • mol (rdkit.Chem.Mol) – RDKit molecule

  • make_hydrogens_implicit (bool, optional, default=True) – If True, hydrogens will be removed from the molecular formula

Returns:

Molecular formula

Return type:

str