2707 -OEChem-10051719373D 10 9 0 0 0 0 0 0 0999 V2000 -1.4160 -1.4673 0.5720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 0.0461 -1.7913 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 1.4355 0.6414 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 1.1591 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 -1.1753 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 -0.0006 0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 0.0025 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9196 0.0001 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 1.3897 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 -1.3587 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 7 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > DB01563 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RNFNDJAIBTYOQL-UHFFFAOYSA-N/SDF?record_type=3d > OC(O)C(Cl)(Cl)Cl > InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H > RNFNDJAIBTYOQL-UHFFFAOYSA-N > C2H3Cl3O2 > 165.403 > 163.919862461 > 2 > 10 > -0.0031525713134116493 > 11.882383768726884 > 1 > 2 > 0 > 0 > 2,2,2-trichloroethane-1,1-diol > 0.88 > 0.6923550136666667 > -0.58 > 0 > 0 > 0 > 0 > 11.47153111794237 > 9.509396531155064 > -5.0687194371693485 > 40.46 > 29.245699999999992 > 1 > 1 > 4.34e+01 g/l > biotin > 0 $$$$