"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1" . "5.14" . "-3.7" . "113.03" . "54.7" . "ChemAxon" . "3" . "2" . "0" . "2.5" . "1" . "4" . "97.11" . "ALOGPS" . "InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14?,15-/m1/s1" . "2-[4-(2-methylpropyl)phenyl]propanoic acid" . "3.16" .