610479 -OEChem-10051722053D 30 31 0 0 0 0 0 0 0999 V2000 5.0545 -0.9425 0.8024 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 -2.3074 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -2.2702 -1.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.3479 0.1604 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 0.0722 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -0.5862 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 0.3446 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -0.2913 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 1.1668 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 -0.1536 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.6817 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 -1.7582 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 1.5996 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 0.9393 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 0.4101 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 2.3831 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 1.7473 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 -1.6873 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.3519 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 1.6865 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 2.1975 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 -1.8619 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -1.6628 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -2.6815 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 2.4469 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 1.2884 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 -0.0519 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 3.4227 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 2.2944 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6725 -3.2461 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 2 30 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 15 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END > DB09216 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YEZNLOUZAIOMLT-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O > InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) > YEZNLOUZAIOMLT-UHFFFAOYSA-N > C14H12ClNO2 > 261.704 > 261.05565634 > 3 > 30 > -0.9992441110920864 > 26.459976089002446 > 1 > 2 > 0 > 1 > 2-[(3-chloro-2-methylphenyl)amino]benzoic acid > 4.64 > 5.488220565 > -4.22 > 0 > -1 > 2 > -1 > 17.307550753283422 > 3.8788522801256358 > -2.101670898633361 > 49.33 > 71.64640000000001 > 3 > 0 > 1.58e-02 g/l > tetrahydrofolic acid > 0 $$$$