70846 -OEChem-10061700183D 27 29 0 0 0 0 0 0 0999 V2000 -5.4168 -0.4255 -1.3470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 -2.0248 1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 2.5488 0.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 0.3211 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.9380 1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 1.3674 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -0.6291 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 0.7125 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 0.1373 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0546 -1.4739 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 1.2668 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.8478 1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -0.7479 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 -0.9310 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 0.4263 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 0.6742 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -0.9214 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 -0.2105 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 0.5991 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -2.5184 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.3116 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 1.5411 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6818 -1.3062 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 -1.5628 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9002 0.8238 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 1.2350 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -1.6111 -1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB13275 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NJDUWAXIURWWLN-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O > InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H > NJDUWAXIURWWLN-UHFFFAOYSA-N > C15H9ClO2 > 256.69 > 256.0291072 > 2 > 27 > 25.625365592694585 > 1 > 0 > 0 > 1 > 2-(4-chlorophenyl)-2,3-dihydro-1H-indene-1,3-dione > 3.66 > 3.484949941 > -4.68 > 0 > 3 > -1 > 4.404659980942982 > -7.504803512923388 > 34.14 > 70.03829999999999 > 1 > 1 > 5.31e-03 g/l > clorindione > 1 $$$$