35781 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 8 8 8 9 10 10 11 11 12 13 14 12 25 13 26 7 9 18 11 23 24 6 8 9 7 10 12 11 15 16 17 13 19 20 21 14 14 22 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 4.269 2.5369 6.0812 7.6811 6.0812 5.135 5.135 6.3919 6.6648 4.269 7.3704 4.269 3.403 3.403 6.3713 5.7781 7.2848 6.2738 4.269 7.391 7.9842 2.866 8.2877 7.267 3.732 2 -2.5317 0.4683 -1.3365 2.3803 0.273 -0.0317 -1.0317 1.2235 -0.5317 0.4683 1.4297 -1.5317 -0.0317 -1.0317 1.8432 1.3109 -0.5317 -1.9258 1.0883 0.8101 1.3424 -1.3417 2.5081 2.8417 -2.8417 0.1583 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 10 12 13 7 9 6 9 7 10 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073300000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043CC6F2C99200A0033467440482802031602000D9A02F4C980A27E2D2919384700865D015D8D807B0F0F60E80400108000210000080021000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminoethyl)-1H-indole-5,7-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminoethyl)-1H-indole-5,7-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminoethyl)-1<I>H</I>-indole-5,7-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminoethyl)-1H-indole-5,7-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-azanylethyl)-1H-indole-5,7-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminoethyl)-1H-indole-5,7-diol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LXWHQTNFZDTKBH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C(C2=C1C(=CN2)CCN)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C(C2=C1C(=CN2)CCN)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.089877630 14 0 0 0 0 0 0 0 1 23