Mrv1652304272019192D 13 14 0 0 0 0 999 V2000 -2.0625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > CDB006007 > CDB > CCCC1=CC2=CC=CC=C2N=C1 > InChI=1S/C12H13N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-9H,2,5H2,1H3 > ANBUXLFLKGJLEL-UHFFFAOYSA-N > C12H13N > 171.243 > 171.104799423 > 1 > 26 > 20.2572710346096 > 1 > 0 > 0 > 1 > 3-propylquinoline > 3.66 > 3.533459190666667 > -2.90 > 0 > 2 > 0 > 4.852422760580494 > 12.89 > 54.222500000000004 > 2 > 1 > 2.15e-01 g/l > 3-propylquinoline > 1 > CDB006007 > 3-Propylquinoline $$$$