7594 -OEChem-12031912353D 29 30 0 0 0 0 0 0 0999 V2000 1.2610 1.3447 0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -0.0846 -0.0501 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 2.2273 0.5426 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 0.4764 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 0.9768 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -0.8813 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -0.2331 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 1.0841 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 0.1184 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -1.7397 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 -0.0144 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -0.5992 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -1.2398 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -0.1616 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0893 -0.7465 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -0.5277 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 2.3225 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 2.0329 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -1.3039 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.5075 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -2.7959 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.2709 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -0.7722 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -1.9078 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 0.0088 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -1.0315 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8616 -0.6423 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 3.0973 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8341 2.2415 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 10 2 0 0 0 0 6 19 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END > DB14191 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OWRCNXZUPFZXOS-UHFFFAOYSA-N/SDF?record_type=3d > N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 > InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16) > OWRCNXZUPFZXOS-UHFFFAOYSA-N > C13H13N3 > 211.268 > 211.110947431 > 3 > 29 > 23.317397202030982 > 1 > 3 > 0 > 1 > N,N'-diphenylguanidine > 2.67 > 3.131316674333333 > -2.75 > 0 > 2 > 1 > 9.38482849979505 > 47.910000000000004 > 78.52480000000001 > 2 > 1 > 3.77e-01 g/l > topramezone > 0 $$$$