Expectorants [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,


NAME CAS FORMULA MWTerraQSAR - LOGP
mecysteine 2485-62-3 C4H9NO2S 135.18
0.67
domiodol 61869-07-6 C5H9IO3 244.03
0.34
carbocysteine 638-23-3 C5H9NO4S 179.19
-1.87
citiolone 1195-16-0 C6H9NO2S 159.21
3.03
iodinated glycerol A 104-08-5 C6H11IO3 258.05
0.62
iodinated glycerol B 5634-39-9 C6H11IO3 258.05
0.60
fudosteine 13189-98-5 C6H13NO3S 179.24
-1.87
erdosteine 84611-23-4 C8H11NO4S2 249.31
0.79
tasuldine 88579-39-9 C10H9N3S 203.27
1.01
stepronin 72324-18-6 C10H11NO4S2 273.33
1.30
letosteine 53943-88-7 C10H17NO4S2 279.38
0.87
terpin 80-53-5 C10H20O2 172.27
3.35
nesosteine 84233-61-4 C12H13NO2S 235.30
2.74
dembrexine 83200-09-3 C13H17Br2NO2 379.10
3.05
ambroxol 18683-91-5 C13H18Br2N2O 378.12
2.25
bromhexine 3572-43-8 C14H20Br2N2 376.15
2.39
guacetisal 55482-89-8 C16H14O5 286.28
3.32
guaimesal 81674-79-5 C16H14O5 286.28
2.79
prorenoate potassium 49847-97-4 C23H31KO4 410.59
3.45
brovanexine 54340-61-3 C24H28Br2N2O4 568.32
3.09
spironolactone 52-01-7 C24H32O4S 416.58
2.33


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