Table 1.

Physicochemical properties of HCAs.

HCA	MW (g/mol)	Water Solubility (mg/mL) a	pKa	Log P	Log D (pH 7.4)	PSA (Å)	HBD	HBA	RB	References
CA	180	0.178 (pH 7.4) 0.188 (pH 6.5) 0.300 (25 °C) 0.420 (pH 3) 0.550 (pH 3.42/15 °C) 0.980 (pH 3.37/25 °C) 1.230 (pH 3.34/30 °C) 1.770 (37 °C) 2.040 (pH 3.25/40 °C) 2.920 (pH 3.17/50 °C) 6.510 (pH 7.2)	4.36–4.70 7.60–9.46 11.17–11.85	0.93–4.60	−1.78–1.74	77.75–81.00	3	4	2	[28,29,31,32,33,34,35,36,37,38,39,40,41]
CGA	354	40.000 (25 °C)	3.33 7.8–8.26	−0.45	−3.91–3.57	164.74	6	9	5	[31,40,42,43,44,45,46]
m-COA	164	1.540 (25 °C)	4.48–4.60 10.35–10.39	1.83	−1.34	57.53	2 b	3 b	2 b	[38,39,47,48,49]
o-COA	164	0.490 (25 °C)	4.00–4.13 9.58–9.60	1.5	N.A.	57.53	2	3	2 b	[47,48,49,50]
p-COA	164	0.344 (25 °C) 0.700 (37 °C)	4.36–4.70 8.84–9.92	1.43–4.45	−1.32	56.20–57.50	2	3	2	[32,33,38,40,47,51,52]
FA	194	0.333 (25 °C) 0.454 (25 °C) 0.570 (pH 3.54/15 °C) 0.710 (pH 3) 0.780 (pH 3.46/25 °C) 0.920 (pH 3.40/30 °C) 0.950 (pH 3.40/30 °C) 1.490 (37 °C) 1.760 (pH 3.31/40 °C) 2.190 (pH 3.18/50 °C) 5.420 (pH 7.4) 6.630 (pH 7.2)	4.58–4.96 9.68–9.99	1.25–4.12	−1.38–1.23	66.80	2	4	3	[29,32,33,36,38,39,40,41,50,51,52,53,54]
RA	360	1.800 (pH 1.2/ 25 °C)	2.92 8.36 9.56 10.62	1.63–1.78	−2.45	144.52–145.00	5	8	7	[39,55,56,57,58]

^a Some studies did not relate the pH or temperature used in the solubility assay. ^b Data not available in the literature and obtained from SwissADME software [59]. N.A. not available in the literature or SwissADME software. MW: Molecular weight. Log P: partition coefficient. log D: distribution coefficient. PSA: polar surface area. HBD: number of hydrogen bond donor. HBA: number of hydrogen bond acceptor. RB: rotatable bonds.