Mrv1652304272018302D 12 13 0 0 0 0 999 V2000 -1.6500 2.8579 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 0.8250 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 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 -2.0625 0.7144 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 -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 9 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > CDB005538 > CDB > CCC1=CC2=CC=CC=C2N=C1 > InChI=1S/C11H11N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h3-8H,2H2,1H3 > WLWBKLRAHBGNIU-UHFFFAOYSA-N > C11H11N > 157.216 > 157.089149358 > 1 > 23 > 18.11849009480253 > 1 > 0 > 0 > 0 > 3-ethylquinoline > 3.14 > 3.0888905256666668 > -2.56 > 0 > 2 > 0 > 4.862645760094 > 12.89 > 49.621500000000005 > 1 > 1 > 4.29e-01 g/l > quinoline, 3-ethyl- > 1 > CDB005538 > 3-Ethylquinoline $$$$