public string MolFormula => GetMolecularFormula(NativeMol); // get mol formula
/// <summary>
/// GetMolecularFormula
/// </summary>
/// <param name="mol"></param>
/// <returns></returns>
public static string GetMolecularFormula(IAtomContainer mol)
{
IMolecularFormula moleculeFormula = MolecularFormulaManipulator.getMolecularFormula(mol);
String formula = MolecularFormulaManipulator.getString(moleculeFormula);
return(formula);
}