fuellib.rdk.mol.molecular_weight

fuellib.rdk.mol.molecular_weight(mol, *, exact=False)

Calculate the molecular weight of mol.

Parameters:

• mol (Mol) – RDKit Mol object.

• exact (bool) – Whether to calculate the monoisotopic molecular weight, i.e. the mass of the molecule computed using the most abundant isotope of each element rather than each element’s standard atomic weight (which is averaged over isotopic abundance). Defaults to False, which uses standard atomic weights.

Returns:

Molecular weight of the molecule in atomic mass units (amu).

Return type:

float