445920 -OEChem-10051721273D 27 29 0 0 0 0 0 0 0999 V2000 0.5022 -1.4041 -0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 -0.9051 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9579 -0.1032 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 0.7987 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 0.0620 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -0.5897 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 1.1556 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.0198 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 1.6114 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.1785 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 0.0005 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5063 -0.0020 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.3501 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9002 -0.0405 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9006 -0.0430 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5976 -0.0624 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 2.1779 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 2.6947 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -2.2600 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 0.0179 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 0.0134 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 1.6708 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 -0.0553 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 -0.0597 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -1.8739 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2731 -0.1136 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB08773 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MDGWZLQPNOETLH-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2 > InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H > MDGWZLQPNOETLH-UHFFFAOYSA-N > C14H10O2S > 242.293 > 242.040150254 > 2 > 27 > -0.008098011740681832 > 25.88996141657468 > 1 > 2 > 0 > 1 > 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol > 3.57 > 3.8860714176666664 > -4.37 > 0 > 0 > 3 > 0 > 9.80455042669491 > 9.182101422341843 > -5.504703923527758 > 40.46 > 68.28020000000001 > 1 > 1 > 1.04e-02 g/l > biotin > 0 $$$$