82148 -OEChem-08052607563D 35 36 0 0 0 0 0 0 0999 V2000 -1.4628 -3.0843 -0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -1.7378 0.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 0.5759 0.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 1.5153 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 1.1295 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 0.5575 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 0.9875 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 0.9238 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.8773 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -0.8174 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 2.3625 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3144 0.0297 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 3.3002 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 -1.7551 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 -1.3323 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -0.7322 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 -0.8123 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -3.9880 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 1.9234 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 0.2582 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 1.8426 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 0.1372 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 3.6222 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -1.2021 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 2.7158 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 0.3385 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 4.3606 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8688 -2.0059 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 1.3351 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 -1.8395 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6946 -0.5074 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -0.1593 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -5.0013 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3227 -3.8553 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -3.9218 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 2 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > 82148 > 0.6 > 1 37 23 25 20 48 16 19 8 45 14 10 22 39 27 9 47 32 5 31 46 29 13 44 17 26 12 40 18 28 21 24 42 11 41 6 36 35 33 15 43 38 7 30 3 34 2 4 > 23 1 -0.36 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 0.08 15 -0.15 16 0.57 17 0.06 18 0.28 2 -0.57 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.37 3 -0.73 4 -0.14 5 0.14 8 0.3 9 -0.15 > 5 > 5 1 1 acceptor 1 2 acceptor 1 3 donor 6 4 6 7 9 11 13 rings 6 6 7 10 12 14 15 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000140E400000001 > 53.7647 > 25.398 > 10411042 1 18194683897822968287 10616163 171 18410577271424314646 10967382 1 16969706079457300797 12173636 292 18122334684416907828 12553582 1 18121787393623895902 12757275 245 18410576163158968556 13140716 1 18197223752845217745 13583140 156 14045742607973721903 138480 1 16249127291187773451 14866123 147 18412263896343891355 15006816 218 17619346507210790214 15042514 8 18410299142142549683 15420108 30 18057616361271046315 15422964 175 17979343488997136688 16752209 62 18263628607122956469 16945 1 18267877253618655885 17804303 29 18341897376811456920 17859628 97 17832703466026874138 19591789 44 17978230461081042803 20291156 8 18264207083383022970 20510252 161 18199749150291559785 20645477 70 17182481332077033935 21650355 55 18411697707584169481 23184049 29 18267308822685370445 23402539 116 18272080592098155101 23559900 14 18340477954835146184 23728640 28 18337955588728230699 257057 1 18123184868866255797 2748010 2 18194419800921539317 3091708 16 9130753034475451001 4214541 1 18338798906227044296 43471831 8 17977103461915663065 532947 4 17331113897591539375 5364581 5 18127386026325575000 54173680 148 18410855503204597741 56633871 153 18269287909720645187 58807428 26 18124892152837028201 7364860 26 17401764619415459913 9709674 26 18343303622408586638 > 353.71 7.6 4.22 0.69 13.18 1.73 0.01 3.82 -0.58 -4.36 0.13 0.07 -0.07 -0.13 > 749.6 > 198.8 > 2 5 10 $$$$

Agomelatine

Chemistry

Also known as