46937163 -OEChem-10051721243D 30 31 0 0 0 0 0 0 0999 V2000 0.5195 0.0405 1.9860 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 0.1949 1.6923 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -0.5421 -0.6656 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 1.3793 -0.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 2.8824 0.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -0.8674 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 -0.7816 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 0.2121 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 -2.0491 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -0.3248 0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8896 -1.1576 -1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 0.1099 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -2.1512 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 2.5567 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 -1.0717 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -0.2438 0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -1.0767 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 -0.6198 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 3.5099 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 -2.9009 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -1.5154 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 0.9385 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 3.0275 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 2.3041 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -3.0713 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9908 -1.1521 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 -1.3691 -2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 4.4318 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 3.7502 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 3.5141 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > DB08611 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AGXPXFPIOHNDAN-UHFFFAOYSA-N/SDF?record_type=3d > OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1 > InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2 > AGXPXFPIOHNDAN-UHFFFAOYSA-N > C14H11F3O2 > 268.2311 > 268.071114211 > 2 > 30 > -7.727892681691946e-09 > 23.755254664779585 > 1 > 1 > 0 > 1 > 2-({2',3',4'-trifluoro-[1,1'-biphenyl]-2-yl}oxy)ethan-1-ol > 3.04 > 3.2008037093333335 > -3.96 > 0 > 0 > 2 > 0 > 15.102131717606454 > -2.754127586718937 > 29.46 > 64.5989 > 4 > 1 > 2.97e-02 g/l > tetrahydrofolic acid > 1 $$$$