Computational Studies of 4-Formylpyridinethiosemicarbazone and Structural and Biological Studies of Its Ni(II) and Cu(II) Complexes

Table 3

QSAR properties of H4FPT.

Property	Thione	Thiol-1	Thiol-2
Partial Charge	0.0e	0.0e	0.0e
Surface area (Approx) Å^2	313.38	330.96	309.74
Surface area (grid) Å^2	370.10	372.26	371.42
Volume Å^3	562.26	566.17	562.75
Hydration Energy; (K Cal/mole)	-16.81	-18.48	-15.12
	2.01	2.31	2.47
Refractivity Å^3	52.14	50.80	50.68
Polarizability Å^3	20.28	19.61	19.61
Mass (amu)	180.23	180.23	180.23