1150 -OEChem-02102012073D 24 25 0 0 0 0 0 0 0999 V2000 0.7303 -2.0393 -0.1435 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 1.0035 -0.2859 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -0.5756 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 0.1343 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1904 0.0038 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 -0.8073 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -1.9095 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 0.4059 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 1.4917 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 -0.4579 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 1.8559 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.8944 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 -0.7193 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 0.8797 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 -2.7785 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -2.9128 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 -0.4748 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 1.1200 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 2.2543 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4342 -1.2057 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 2.9014 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 1.1995 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 1.3091 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1242 1.8414 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > DB08653 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/APJYDQYYACXCRM-UHFFFAOYSA-N/SDF?record_type=3d > NCCC1=CNC2=CC=CC=C12 > InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 > APJYDQYYACXCRM-UHFFFAOYSA-N > C10H12N2 > 160.2157 > 160.100048394 > 1 > 24 > 0.9981582709904692 > 18.336363890057264 > 1 > 2 > 0 > 1 > 2-(1H-indol-3-yl)ethan-1-amine > 1.21 > 1.48643745 > -2.08 > 0 > 1 > 2 > 1 > 17.170311785836876 > 9.733973681017083 > 41.81 > 50.37290000000001 > 2 > 1 > 1.34e+00 g/l > 9-hydroxyminocycline > 0 $$$$