Mrv1652304272018362D 13 14 0 0 0 0 999 V2000 -4.1250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.4290 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 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 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 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7144 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 11 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END > CDB005594 > CDB > CCCC1=NC2=CC=CC=C2C=C1 > InChI=1S/C12H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-9H,2,5H2,1H3 > IZXJPGLOYYDHRM-UHFFFAOYSA-N > C12H13N > 171.243 > 171.104799423 > 1 > 26 > 20.331838864300998 > 1 > 0 > 0 > 1 > 2-propylquinoline > 3.85 > 3.407375152333333 > -2.85 > 0 > 2 > 0 > 4.939430611743731 > 12.89 > 53.798700000000004 > 2 > 1 > 2.44e-01 g/l > 2-propylquinoline > 1 > CDB005594 > 2-Propylquinoline $$$$