7950 -OEChem-02262023113D 12 12 0 0 0 0 0 0 0999 V2000 -1.3136 2.8255 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -2.5503 -0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 -0.2752 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 1.2647 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -1.1418 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.1230 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 0.1230 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 1.1418 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -1.2647 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 0.2189 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 2.0323 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -2.2513 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > DB03836 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XKEFYDZQGKAQCN-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC(Cl)=CC(Cl)=C1 > InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H > XKEFYDZQGKAQCN-UHFFFAOYSA-N > C6H3Cl3 > 181.447 > 179.930033217 > 0 > 12 > 0.0 > 15.539071882728724 > 1 > 0 > 0 > 0 > 1,3,5-trichlorobenzene > 4.08 > 3.7853798449999996 > -3.77 > 0 > 0 > 1 > 0 > 0.0 > 40.47239999999999 > 0 > 1 > 3.10e-02 g/l > methionine sulfone > 1 $$$$