9797657 -OEChem-10261720133D 37 38 0 1 0 0 0 0 0999 V2000 -4.9034 -1.2480 -0.5541 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 -0.6784 1.5236 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 0.8203 0.0607 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 0.9503 -0.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 4.1897 0.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 0.7753 0.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0322 1.8158 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 -0.6558 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 3.2562 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 0.6573 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 -1.3150 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 -1.2813 1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 -0.3332 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 1.3505 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9307 -2.6361 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -2.6025 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 0.0588 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3088 -0.6331 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 1.0506 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 -3.2799 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 -0.2615 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4164 0.9494 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 1.6708 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 1.6475 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 3.4333 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 3.4467 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.8319 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -0.7618 2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 -0.8732 -2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 2.1402 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 -3.1622 -1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 -3.1036 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3041 4.0463 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 5.1434 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 -1.4084 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 1.5983 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -4.3081 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 M END > DBMET01807 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WIQRCHMSJFFONW-OAHLLOKOSA-N/SDF?record_type=3d > [H]NC([H])([H])C([H])([H])[C@@]([H])(OC1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 > WIQRCHMSJFFONW-OAHLLOKOSA-N > C16H16F3NO > 295.305 > 295.118398628 > 2 > 37 > 28.132287014954734 > 1 > 1 > 0 > 1 > (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine > 3.80 > 3.740639149666666 > -4.51 > 0 > 2 > 1 > 9.767873558652434 > 35.25 > 75.59290000000001 > 6 > 1 > 9.15e-03 g/l > (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine > 1 $$$$