3052776 -OEChem-10051719343D 26 27 0 1 0 0 0 0 0999 V2000 -1.6184 -0.2929 0.0588 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.4301 0.5704 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3115 1.7967 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 2.1520 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -0.1969 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 0.7890 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -1.5296 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1143 0.4631 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 0.3911 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -1.8686 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -0.8797 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 -0.3327 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9733 -0.9216 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 0.5610 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 2.5791 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 1.7247 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 2.6488 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 2.7767 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 -1.2293 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 -2.2991 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 1.2276 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 0.4807 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 1.4028 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 -2.9077 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.1626 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 -1.4440 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 3 0 0 0 0 13 26 1 0 0 0 0 M END > DB01367 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RUOKEQAAGRXIBM-GFCCVEGCSA-N/SDF?record_type=3d > C#CCN[C@@H]1CCC2=CC=CC=C12 > InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1 > RUOKEQAAGRXIBM-GFCCVEGCSA-N > C12H13N > 171.2383 > 171.104799421 > 1 > 26 > 0.9614720765641677 > 20.245577692400097 > 1 > 1 > 0 > 1 > (1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine > 2.26 > 2.3039019329999997 > -3.84 > 0 > 1 > 2 > 1 > 8.397161073617074 > 12.03 > 54.46700000000001 > 2 > 1 > 2.49e-02 g/l > biotin > 1 $$$$