121938 -OEChem-10051720323D 24 25 0 0 0 0 0 0 0999 V2000 1.7573 -2.3980 -0.1155 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -0.1443 0.3924 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -1.5298 0.4657 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 1.4577 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 0.8912 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 1.0066 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.5704 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -0.3560 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 -1.4274 -0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 1.9675 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -0.7241 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 1.5865 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 0.2406 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8994 2.5527 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 1.1983 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 1.0149 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 1.4847 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9836 -0.8275 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 -0.6884 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -1.2430 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 -2.4207 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -2.4671 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 3.0254 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 2.3561 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB04273 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IADAQXMUWITWNG-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C2CCCNCC2=C1Cl > InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2 > IADAQXMUWITWNG-UHFFFAOYSA-N > C10H11Cl2N > 216.107 > 215.026854771 > 1 > 24 > 0.9723596255677993 > 21.688544128862752 > 1 > 1 > 0 > 1 > 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine > 3.02 > 3.2241411696666664 > -3.62 > 0 > 1 > 2 > 1 > 8.546282995776892 > 12.03 > 56.82620000000001 > 0 > 1 > 5.15e-02 g/l > tetrahydrofolic acid > 1 $$$$