44571 -OEChem-10061700343D 34 36 0 0 0 0 0 0 0999 V2000 1.2150 -3.3971 0.0004 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 -0.6426 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 0.3521 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 -0.3548 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 0.7468 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 0.1436 1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 0.1462 -1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 0.2614 1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 0.2639 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 0.6212 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 1.5455 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 0.8039 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 -0.5352 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 1.1159 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -1.6001 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 0.0659 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -1.2668 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 1.7300 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6974 1.8233 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 0.6525 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8342 -0.9132 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -0.9104 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 0.6568 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0716 -0.2334 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 1.3140 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9449 1.3165 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0747 -0.2293 -2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9484 -1.3471 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 2.6206 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 2.1657 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 -2.0546 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 1.7734 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9127 2.2366 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9154 2.2384 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > DB13876 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WZXHSWVDAYOFPE-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=C(OC(=C2)C2CCNCC2)C(Br)=C1 > InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3 > WZXHSWVDAYOFPE-UHFFFAOYSA-N > C14H16BrNO2 > 310.191 > 309.036442 > 2 > 34 > 29.916529853844242 > 1 > 1 > 0 > 1 > 4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidine > 3.36 > 2.690562883 > -3.98 > 0 > 3 > 1 > 9.901400134897422 > 34.400000000000006 > 74.3606 > 2 > 1 > 3.21e-02 g/l > brofaromine > 1 $$$$