"SANGSTER (1993)" . "0.36" . "InChIKey=BEBCJVAWIBVWNZ-UHFFFAOYSA-N" . "InChIKey=HJWMLCDGRWWLAQ-UHFFFAOYSA-N" . "CC1=C2C=C3N4C(C=C5N6C(=CC7=C(CCC(O)=O)C(C)=C8C=C([C@@H]1C=C)N2[Fe]46N78)C(CCC(O)=O)=C5C)=C(C)\\C3=C/O" . "14.06" . "ChemAxon" . "4.75" . "5" . "1" . "23.67" . "1.66e+00 g/l" . "318.044105375" . "1.38" . "2.2" . "ALOGPS" . "4" . "InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3" . "2.91" . "0" . "1.99e+00 g/l" .