4768 -OEChem-10051719263D 43 44 0 1 0 0 0 0 0999 V2000 -4.0444 3.0106 1.7476 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 1.3842 0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 1.1018 -0.0630 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.2503 2.2746 -0.5194 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9794 0.0566 -1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 1.4675 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 1.8917 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.8313 -1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -1.1904 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 2.5730 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -2.1796 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 -1.3332 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7824 0.4835 0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -3.3351 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 -2.4886 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 -3.4894 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6471 0.5552 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9486 -0.4939 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 -0.3625 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 -1.4115 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 -1.3458 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 3.0504 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 0.3599 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -0.2612 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 0.6250 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 1.7367 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 1.2136 -1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 2.8043 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 3.7501 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 2.1757 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 3.1322 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 3.5158 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 2.2706 2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 -2.0691 0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -0.5705 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -4.1140 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 -2.6105 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4969 -4.3893 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 1.3241 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -0.5494 2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -0.3071 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 -2.1773 1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 -2.0592 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > DB00925 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QZVCTJOXCFMACW-UHFFFAOYSA-N/SDF?record_type=3d > CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 > InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3 > QZVCTJOXCFMACW-UHFFFAOYSA-N > C18H22ClNO > 303.826 > 303.138992038 > 2 > 43 > 0.8848284304422692 > 34.0924452059663 > 1 > 0 > 0 > 1 > benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine > 4.26 > 4.6397570586666665 > -4.47 > 0 > 1 > 2 > 1 > 7.885513783069641 > 12.47 > 88.91500000000003 > 8 > 1 > 1.03e-02 g/l > tetrahydrofolic acid > 1 $$$$