16058630 -OEChem-10051720553D 38 39 0 0 0 0 0 0 0999 V2000 6.3713 1.5135 -0.4736 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 1.0753 0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -2.8606 -0.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5022 1.1589 -0.6653 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4239 1.5394 1.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 3.5156 -0.9574 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 2.3492 0.9936 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 -1.2581 1.1527 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5924 0.8818 0.1532 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7683 -1.9575 1.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 -1.6043 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -0.9484 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -1.7622 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 -0.5361 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 0.4422 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0268 -2.3532 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 -0.2099 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -1.5773 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -2.0271 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 1.2038 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8965 -0.9553 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -0.8158 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 0.5748 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 1.9994 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 2.6119 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 -3.0384 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 -1.6930 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 -0.3648 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 0.0281 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -3.1924 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 -2.6597 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 2.2867 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -2.6083 -2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.7303 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 -1.3195 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 1.4699 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 2.8128 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 3.9306 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 25 1 0 0 0 0 6 38 1 0 0 0 0 7 25 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 2 4 -1 9 1 M END > DB07030 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VABIMMIJVWNHFI-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O > InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) > VABIMMIJVWNHFI-UHFFFAOYSA-N > C16H13ClN2O6 > 364.737 > 364.046213865 > 6 > 38 > -0.9999049014594369 > 34.34178893535614 > 1 > 2 > 0 > 1 > 2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid > 2.88 > 2.6363762016666663 > -4.68 > 0 > -1 > 2 > -1 > 14.059480267814358 > 2.9786149979531187 > -1.4762485962916216 > 118.77000000000001 > 88.31880000000001 > 7 > 1 > 7.55e-03 g/l > biotin > 0 $$$$