Mrv1652304272018402D 17 19 0 0 0 0 999 V2000 -4.4274 -0.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 -0.1256 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 -1.5457 2.6330 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 -0.8783 2.1480 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 -2.2994 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.3805 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 -0.9645 1.3276 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 -1.7182 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 1.4769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END > CDB005633 > CDB > CCCCN1C2=CC=CC=C2C2=CC=CN=C12 > InChI=1S/C15H16N2/c1-2-3-11-17-14-9-5-4-7-12(14)13-8-6-10-16-15(13)17/h4-10H,2-3,11H2,1H3 > HKZMWDMURIRYDS-UHFFFAOYSA-N > C15H16N2 > 224.307 > 224.131348523 > 1 > 33 > 26.300408180827635 > 1 > 0 > 0 > 1 > 9-butyl-9H-pyrido[2,3-b]indole > 4.49 > 3.788250397666667 > -3.84 > 0 > 3 > 0 > 2.841876689853664 > 17.82 > 70.0382 > 3 > 1 > 3.28e-02 g/l > 9-butylpyrido[2,3-b]indole > 1 > CDB005633 > N-butyl-1-azacarbazole $$$$