129873 -OEChem-10051722403D 31 32 0 1 0 0 0 0 0999 V2000 -0.3526 -3.3686 0.9552 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -2.5676 -1.7156 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.4542 2.5042 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 1.4214 -0.5985 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.7285 0.4498 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7051 -2.2246 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 -0.1934 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 0.2728 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -2.5977 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 0.4457 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 -0.3329 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 1.2566 0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 0.1049 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 0.9458 -1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 0.1670 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 2.1413 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 0.9895 -1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 0.8064 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 2.0077 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 -0.8105 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -2.1023 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 -2.3618 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 -3.6745 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 0.5589 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -0.8229 2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 -0.5974 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 1.4382 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 0.0520 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 2.9409 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 0.8967 -2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 2.6988 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 12 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB12117 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MOTIYCLHZZLHHQ-UHFFFAOYSA-N/SDF?record_type=3d > CC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl > InChI=1S/C15H12Cl4/c1-15(18,19)14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)17/h2-9,14H,1H3 > MOTIYCLHZZLHHQ-UHFFFAOYSA-N > C15H12Cl4 > 334.06 > 331.9693112 > 0 > 31 > 31.662967870694004 > 1 > 0 > 0 > 0 > 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)propyl]benzene > 6.56 > 6.358427516999999 > -7.81 > 0 > 2 > 0 > 0.0 > 84.9872 > 3 > 0 > 5.18e-06 g/l > 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)propyl]benzene > 1 $$$$