3102 -OEChem-10051719443D 24 25 0 0 0 0 0 0 0999 V2000 0.0295 -2.3285 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -0.3897 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.0889 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2983 1.0073 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -1.1137 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -1.1091 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 1.6754 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 1.6802 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -0.4432 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6854 -0.4363 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 0.9513 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 0.9583 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 1.6363 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 1.6258 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 -2.2005 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 -2.1945 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 2.7563 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 2.7608 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 -1.0067 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 -0.9980 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 1.4729 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 1.4817 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 M END > DB01878 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RWCCWEUUXYIKHB-UHFFFAOYSA-N/SDF?record_type=3d > O=C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H > RWCCWEUUXYIKHB-UHFFFAOYSA-N > C13H10O > 182.2179 > 182.073164942 > 1 > 24 > 0.0 > 20.185444456999598 > 1 > 0 > 0 > 1 > diphenylmethanone > 3.03 > 3.4325988533333334 > -3.66 > 0 > 0 > 2 > 0 > -7.4550150838738 > 17.07 > 56.63350000000001 > 2 > 1 > 4.01e-02 g/l > biotin > 1 $$$$