. 2023 May 16;11(5):463. doi: 10.3390/toxics11050463

Table 2.

In Vitro–In Vivo Extrapolation to Estimate C_ss and Comparisons to HTS Bioactivity.

DTXSID	Compound Name	Mol. Wt. (g/mol)	f_up	In Vitro Cl_int (μL/min/10⁶ cells) ^a	Cl_renal (L/h) ^a	Cl_hep (L/h) ^a	C_ss (μM) ^a	LOEC (μM) ^b	AED (mg/kg/Day)
DTXSID3059927	Hexafluoroamylene glycol	212.09	0.6770	0.00	6.7	0.000	2.07	2	0.966
DTXSID0059871	Pentafluoropropionamide	163.05	0.8089	0.00	6.7	0.000	2.69	20	7.431
DTXSID80310730	Octafluoroadipamide	288.10	0.8201	2.95	6.7	23.099	0.34	2	5.840
DTXSID10382147	3-(Perfluoro-2-butyl) propane-1,2-diol	294.12	0.3696	5.88	4.5024	28.460	0.30	2	6.595
DTXSID70381090	1H,1H,8H,8H-Perfluoro-3,6-dioxaoctane-1,8-diol	294.10	0.2069	6.72	2.5204	20.549	0.43	7	16.154
DTXSID70366226	Perfluoropentanamide	245.07	0.5417	14.68	6.5989	56.570	0.19	7	36.860
DTXSID00380798	1H,1H,11H,11H-Perfluorotetraethylene glycol	410.11	0.0128	19.93	0.1559	4.634	1.50	2	1.336
DTXSID2060965	Heptafluorobutyramide	213.06	0.6030	19.95	6.7	63.013	0.20	20	101.039
DTXSID30396867	1H,1H,8H,8H-Perfluorooctane-1,8-diol	362.12	0.0560	20.01	0.6822	17.326	0.45	7	15.526
DTXSID30340244	1H,1H,7H-Perfluoroheptyl 4-methylbenzenesulfonate	486.27	0.0290	23.85	0.0158	0.588	10.01	7	0.700
DTXSID60400587	Nonafluoropentanamide	263.03	0.1985	26.03	2.4181	47.130	0.23	7	31.034
DTXSID1062122	4:2 Fluorotelomer alcohol	264.09	0.1680	37.71	2.0465	51.672	0.21	2	9.651
DTXSID50369896	1H,1H,10H,10H-Perfluorodecane-1,10-diol	462.13	0.0047	49.86	0.0573	4.275	1.47	2	1.362
DTXSID8037708	Ammonium perfluorooctanoate (PFOA) ^c	414.07	0.0006	0.27	0.0073	0.003	681.96	2	0.003
DTXSID8037706	Potassium perfluorooctanesulfonate (PFOS) ^c	500.13	0.0040	1.81	0.0487	0.138	31.41	7	0.223
DTXSID3038939	Perfluorooctanesulfonamide ^c	499.15	0.0039	11.93	0.0475	0.882	6.33	2	0.316

^a See Materials and Methods for details and Table S10 for scalars, inputs, and equations. ^b Values from [40]. ^c f_up from [33] and Cl_int from [34].