7245 -OEChem-10051720093D 13 13 0 0 0 0 0 0 0999 V2000 2.2677 -1.2333 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 1.6750 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 0.7990 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 1.3051 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -1.4523 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 0.4325 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 2.3780 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 -2.5292 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 0.8265 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3312 1.1630 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END > DB03110 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ISPYQTSUDJAMAB-UHFFFAOYSA-N/SDF?record_type=3d > OC1=CC=CC=C1Cl > InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H > ISPYQTSUDJAMAB-UHFFFAOYSA-N > C6H5ClO > 128.556 > 128.002892489 > 1 > 13 > -0.097268248746173 > 11.926235932187765 > 1 > 1 > 0 > 0 > 2-chlorophenol > 2.40 > 2.2737251706666664 > -0.94 > 0 > 0 > 1 > 0 > 7.967587621167141 > -6.726155654146217 > 20.23 > 32.8437 > 0 > 1 > 1.48e+01 g/l > biotin > 1 $$$$