3821 -OEChem-10051719323D 32 33 0 1 0 0 0 0 0999 V2000 -1.0947 -2.3694 0.8733 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 -1.8776 1.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 -1.4618 -1.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -0.2911 -0.5220 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5947 0.7771 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 1.9569 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 1.4753 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 -0.7042 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 0.4187 1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 0.1244 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -0.7578 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 1.4205 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -1.1535 -2.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8634 -0.3439 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 1.8344 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 0.9521 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 1.1873 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 0.3250 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1359 2.5590 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 2.6404 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 2.3238 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.0567 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 0.8465 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 0.0032 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 -1.7559 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 2.1311 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1244 -2.0785 -3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.4373 -3.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.8328 -2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 -1.0196 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 2.8366 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2856 1.2730 0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > DB01221 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YQEZLKZALYSWHR-UHFFFAOYSA-N/SDF?record_type=3d > CNC1(CCCCC1=O)C1=CC=CC=C1Cl > InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 > YQEZLKZALYSWHR-UHFFFAOYSA-N > C13H16ClNO > 237.725 > 237.092041846 > 2 > 32 > 0.5934006411088409 > 24.970830116538977 > 1 > 1 > 0 > 1 > 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one > 2.69 > 3.347302666 > -3.71 > 0 > 1 > 2 > 1 > 19.77106698197995 > 7.16418132166686 > 29.1 > 65.55380000000001 > 2 > 1 > 4.64e-02 g/l > tetrahydrofolic acid > 1 $$$$