16259 -OEChem-10051720343D 23 23 0 0 0 0 0 0 0999 V2000 4.3364 0.0042 0.8189 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 0.0102 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 0.0128 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 0.0043 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3938 -0.0194 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 -1.2064 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 1.2096 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -1.2121 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 1.2039 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 -0.0070 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 0.8857 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.8644 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 0.9063 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.8548 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -0.9222 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 0.8469 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 -2.1503 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 2.1577 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9329 -2.1548 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 2.1422 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -0.0702 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -0.8131 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -0.0114 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 23 1 0 0 0 0 M END > DB04410 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LYUQWQRTDLVQGA-UHFFFAOYSA-N/SDF?record_type=3d > NCCCC1=CC=CC=C1 > InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2 > LYUQWQRTDLVQGA-UHFFFAOYSA-N > C9H13N > 135.21 > 135.104799423 > 1 > 23 > 16.405651230032703 > 1 > 1 > 0 > 0 > 3-phenylpropan-1-amine > 1.76 > 1.8322441219999999 > -2.05 > 0 > 1 > 1 > 10.045717282737854 > 26.02 > 43.8874 > 3 > 1 > 1.22e+00 g/l > 3-phenyl propylamine > 1 $$$$