"-3.5" . "simaron" . "-1" . "-1.9" . "9.7" . "116.22" . "3" . "4" . "283.3251" . "ALOGPS" . "44.87" . "4-(2-aminoethyl)benzene-1-sulfonyl fluoride" . "ChemAxon" . "462.95" . "113.084063979" . "304.178692644" . "4.49" . "1" . "C15H32" .