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