2084 -OEChem-10051720023D 28 28 0 0 0 0 0 0 0999 V2000 -1.2113 -2.5448 -1.0332 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.3897 0.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 0.6751 -0.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 1.1912 -1.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -0.2879 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 0.7712 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5085 0.3582 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 -0.3726 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 -0.2411 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 -1.2731 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.6550 1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 -1.3154 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 0.6128 1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 1.5460 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 0.6151 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 1.2649 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 1.4722 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -0.3878 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0976 -0.1398 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -1.2547 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 0.1538 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -2.0058 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 1.4278 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 1.3494 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 2.0326 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2438 1.2207 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4655 2.2878 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 1.2287 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END > DB02773 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QEJHPAGTOOIBFT-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC1=CC=C(CC(O)=O)C=C1Cl > InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14) > QEJHPAGTOOIBFT-UHFFFAOYSA-N > C11H13ClO3 > 228.672 > 228.055321989 > 3 > 28 > -0.9995087193014176 > 23.12490887498779 > 1 > 1 > 0 > 1 > 2-(3-chloro-4-propoxyphenyl)acetic acid > 3.21 > 2.936697865666667 > -3.00 > 0 > -1 > 1 > -1 > 3.6915431163961228 > -4.894185808744882 > 46.53 > 57.90620000000001 > 5 > 1 > 2.27e-01 g/l > tetrahydrofolic acid > 0 $$$$