Terpenes: Natural Products for Controlling Insects of Importance to Human Health—A Structure-Activity Relationship Study

Table 3

Calculated molecular descriptors for alcohol and phenol compounds used in QSAR analysis of the insecticidal activity against cockroach species.

Compounds	Rings	pka	MV	Parachor	RI	ASA	ASAH	ASAP
Thymol	1	10.59	154	374.9	1.52	356.3	329.7	26.6
-Terpineol	1	19.4	164.9	396	1.48	335.6	318.4	17.2
Linalool	0	18.46	179.6	414.2	1.46	378.4	358.1	20.2
Verbenol	2	18.59	151.8	362.5	1.51	290	266.4	23.6
Menthol	1	19.55	175.5	409.8	1.46	336.9	313.8	23.1
Carvacrol	1	10.42	154.2	374	1.52	364	328.9	35.1
(−)-Carveol	1	18.21	160.2	383.1	1.5	313.8	289	24.3
Terpinen-4-ol	1	20	165.2	396	1.48	317.5	301	16.5
Borneol	2	19.6	155.3	381.2	1.5	273.6	250.7	22.9
Citronellol	0	17.11	184.9	427.5	1.45	419.1	378.6	40.5
Geraniol	0	16.33	177	413.5	1.47	411.6	367.5	44
Cinnamyl alcohol	1	15.62	127.9	326.9	1.56	328.8	284.1	44.7

The descriptors were calculated by ChemAxon and ChemSpider software.
The data on cockroach species were obtained by Jang et al. [42].