28061 -OEChem-10051722573D 24 24 0 1 0 0 0 0 0999 V2000 -4.0761 0.3392 -0.7768 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -0.5946 1.3453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 2.0133 0.1772 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8098 2.3165 -0.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 -0.4378 -0.2974 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 -2.0852 0.1335 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 1.5480 -0.0733 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8699 0.2415 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.5895 0.6021 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5412 -1.7800 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 0.1645 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 1.3016 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -0.8774 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -2.7391 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 1.0823 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 -0.4661 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 1.2445 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8273 2.2570 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 1.4883 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 -0.8264 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.7085 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 -2.5884 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -3.7590 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.8380 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M CHG 2 3 -1 7 1 M END > DB13026 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IPWKIXLWTCNBKN-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC=C(N1CC(O)CCl)N(=O)=O > InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3 > IPWKIXLWTCNBKN-UHFFFAOYSA-N > C7H10ClN3O3 > 219.63 > 219.0410689 > 4 > 24 > 19.591955492685816 > 1 > 1 > 0 > 1 > 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol > 0.37 > 0.2649466893333334 > -1.82 > 0 > 1 > 0 > 13.887818424635807 > 3.084536286190219 > 83.87 > 50.234 > 4 > 1 > 3.34e+00 g/l > madelen > 0 $$$$