3561 -OEChem-10051719233D 18 18 0 0 0 0 0 0 0999 V2000 -6.4046 -0.2263 0.2352 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -2.6518 -0.2149 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 2.3244 0.0127 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -0.6524 0.5584 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.2167 -0.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 0.0077 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 -1.2752 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 1.1067 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 0.9227 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -1.4590 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9098 -0.3601 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 1.0544 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 0.6580 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4055 0.3343 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 2.1055 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4365 -2.4605 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 0.9827 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7483 2.0931 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 3 0 0 0 0 M END > DB00793 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CTETYYAZBPJBHE-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC(Cl)=C(Cl)C=C1OCC#CI > InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2 > CTETYYAZBPJBHE-UHFFFAOYSA-N > C9H4Cl3IO > 361.391 > 359.837241291 > 1 > 18 > 1.0907768993132078e-12 > 26.817790819430407 > 1 > 0 > 0 > 0 > 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene > 4.69 > 4.8453 > -4.78 > 0 > 0 > 1 > 0 > -4.962264068206132 > 9.23 > 66.87900000000002 > 3 > 1 > 6.01e-03 g/l > tetrahydrofolic acid > 1 $$$$