3991 -OEChem-10051720143D 32 32 0 0 0 0 0 0 0999 V2000 1.9444 -1.5172 1.1842 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 -1.0164 0.2286 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 0.4617 1.4656 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 1.0025 -1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -1.0951 -1.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 -0.6682 0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7720 0.2531 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0131 -0.1389 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 -0.6932 1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 -2.1011 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -0.3069 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 0.5330 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.0111 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 1.5510 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 1.8818 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 2.3908 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -0.5258 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5313 -0.0613 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 -0.8490 -1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 0.8321 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 0.2954 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4071 -1.4136 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -1.0051 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.5243 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 -2.6902 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -2.1177 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 -1.3477 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 1.9700 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 2.5546 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 3.4403 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 0.7835 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -1.6729 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M CHG 1 6 1 M END > DB03359 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KGVDBJQLTHWAJF-UHFFFAOYSA-N/SDF?record_type=3d > C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F > InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1 > KGVDBJQLTHWAJF-UHFFFAOYSA-N > C11H15F3NO2 > 250.2375 > 250.105488344 > 2 > 32 > 0.7659757306405126 > 22.468604219882653 > 1 > 2 > 1 > 0 > N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium > -0.62 > -1.909220462805079 > -4.52 > 0 > 1 > 1 > 1 > 9.545280022826022 > 7.52879914540592 > -5.9350327336960245 > 40.46 > 69.08280000000002 > 3 > 1 > 8.72e-03 g/l > biotin > 0 $$$$