3036 -OEChem-10061700223D 28 29 0 0 0 0 0 0 0999 V2000 -0.2142 -2.4318 -1.8683 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 -3.2973 0.6082 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -3.3014 0.3574 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 2.3468 -0.4653 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 2.2637 -0.2446 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.9042 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -0.0970 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.0870 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 -2.3700 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 0.7019 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 0.8397 1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 -0.1404 1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -0.3387 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 1.4576 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 1.5761 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 0.6152 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 0.3976 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 1.4142 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 1.3550 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 -1.0938 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 0.7494 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 1.0163 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -0.7471 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -1.0483 -1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 2.0740 -1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 2.3190 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2632 0.5736 1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 0.2175 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 18 1 0 0 0 0 5 19 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 20 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 25 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 M END > DB13424 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YVGGHNCTFXOJCH-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl > InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H > YVGGHNCTFXOJCH-UHFFFAOYSA-N > C14H9Cl5 > 354.486 > 351.914688823 > 0 > 28 > 0.0 > 32.28078308705396 > 1 > 0 > 0 > 0 > 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene > 6.29 > 6.4575023993333325 > -8.00 > 0 > 0 > 2 > 0 > 0.0 > 85.31569999999998 > 3 > 0 > 3.52e-06 g/l > tetrahydrofolic acid > 1 $$$$