"9.31" . "ADME Research, USCD" . "0" . "ALOGPS" . "87.44" . "C18H18N8O7S3" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1" . "ChemAxon" . "29.54" . "-4.4" . "InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)" . "1" . "49.35" . "4.14" . "12.33" . "314.1892" . "5" . "1.61e-01 g/l" . "-4.81" . "2.35e+00 g/l" . "57.26" .