ECN Mrv0541 02241213362D 25 27 0 0 0 0 999 V2000 3.2273 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.2318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -2.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6563 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6563 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3707 0.2432 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 0.2432 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -3.6363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -1.4068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7984 -0.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 -2.6443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -3.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -1.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 23 2 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 24 2 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 17 25 1 1 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB07705 > drugbank > [H][C@](CN1C=CN=C1)(OCC1=CC=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C=C1 > InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1 > InChIKey=LEZWWPYKPKIXLL-GOSISDBHSA-N > 2 > 37.590663987324604 > 1 > 0 > 380.024996233 > 0 > C18H15Cl3N2O > 1 > 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole > 4.67 > 5.352323684 > -5.41 > 381.684 > 1 > 3 > 0 > 6.767291901775012 > 27.05 > 98.2628 > 6 > 0 > 1.48e-03 g/l > 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole > 1 > DB07705 > experimental > 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE $$$$