7023019 -OEChem-10051720533D 23 24 0 0 0 0 0 0 0999 V2000 4.6455 1.2424 0.0007 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -2.4115 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 1.0694 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 -0.5457 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 -1.1755 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.8452 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 -1.3325 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.0377 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -0.0383 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 1.4492 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.7283 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 0.6625 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3898 0.6933 -1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3895 0.6928 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 1.4954 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 -2.4179 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 -0.3124 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7724 -0.3134 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 2.5321 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.3403 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 1.0056 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 1.0047 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 6 2 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 10 15 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 M END > DB06917 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WTRWBYGUMQEFFI-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1 > InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H > WTRWBYGUMQEFFI-UHFFFAOYSA-N > C12H8FNO > 201.1964 > 201.058992088 > 2 > 23 > 0.00015098534820329437 > 19.556581825761505 > 1 > 0 > 0 > 1 > 4-(4-fluorobenzoyl)pyridine > 2.00 > 2.3576283626666665 > -2.57 > 0 > 0 > 2 > 0 > 3.1790003819519423 > 29.96 > 54.69300000000001 > 2 > 1 > 5.47e-01 g/l > biotin > 1 $$$$