"-5.9" . "3" . "1" . "InChIKey=BGNXCDMCOKJUMV-UHFFFAOYSA-N" . "2" . "13.45" . "C13H8F2O2" . "136.3" . "ChemAxon" . "0" . "-3" . "COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1" . "ALOGPS" . "1.84e-02 g/l" . "416.219888756" .