15664 -OEChem-10051722373D 26 27 0 0 0 0 0 0 0999 V2000 1.3311 1.1405 -0.2974 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -1.1405 -0.2974 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 -0.0237 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 0.0237 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 0.0114 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -0.0114 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -1.1939 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 1.1939 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -1.1676 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 1.1676 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 1.1276 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 -1.1276 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 0.0719 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9356 -0.0719 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.1151 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.1152 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.0696 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 2.0696 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 2.0772 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -2.0773 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 -0.8883 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 0.8241 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3213 0.3248 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 -0.8262 -0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 -0.3220 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3627 0.8874 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB11932 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PTRATZCAGVBFIQ-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(N=C1)C1=CC=C(C)C=N1 > InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 > PTRATZCAGVBFIQ-UHFFFAOYSA-N > C12H12N2 > 184.242 > 184.100048394 > 2 > 26 > 21.308173217097377 > 1 > 0 > 0 > 1 > 5,5'-dimethyl-2,2'-bipyridine > 2.43 > 2.983669754 > -2.27 > 0 > 2 > 0 > 3.7957277554247026 > 25.78 > 56.2188 > 1 > 1 > 9.80e-01 g/l > 5,5'-dimethyl-2,2'-bipyridine > 1 $$$$