11575 -OEChem-10051719513D 12 12 0 0 0 0 0 0 0999 V2000 2.9763 0.0001 -0.0002 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.0000 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 1.2080 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 -1.2081 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 -1.2080 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 0.0000 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 2.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -2.1608 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 2.1484 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 -2.1485 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 0.0000 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > DB02252 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNHMUERNLJLMHN-UHFFFAOYSA-N/SDF?record_type=3d > IC1=CC=CC=C1 > InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H > SNHMUERNLJLMHN-UHFFFAOYSA-N > C6H5I > 204.0084 > 203.94359358 > 0 > 12 > 0.0 > 14.21824811198163 > 1 > 0 > 0 > 0 > iodobenzene > 3.00 > 2.9021902943333333 > -3.15 > 0 > 0 > 1 > 0 > 0.0 > 39.420500000000004 > 0 > 1 > 1.45e-01 g/l > tetrahydrofolic acid > 1 $$$$