54679224 -OEChem-10051722063D 13 13 0 0 0 0 0 0 0999 V2000 2.7971 -0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 1.8631 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8694 0.2744 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -1.2522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -0.5200 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 1.1370 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2123 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 2.1529 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -2.5654 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -2.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 2.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > DB09257 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPLQIPFOCGIIHV-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC(=O)NC=C1Cl > InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9) > ZPLQIPFOCGIIHV-UHFFFAOYSA-N > C5H4ClNO2 > 145.54 > 144.9930561 > 2 > 13 > 12.18869233719748 > 1 > 2 > 0 > 0 > 5-chloro-4-hydroxy-1,2-dihydropyridin-2-one > -0.08 > 0.12644476800000015 > -1.01 > 0 > 1 > 0 > 10.064251977615104 > 8.659622788050404 > -4.504126957840103 > 49.33 > 34.653800000000004 > 0 > 1 > 1.42e+01 g/l > 5-chloro-4-hydroxy-1H-pyridin-2-one > 0 $$$$