115292 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 27 28 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 8 8 9 10 10 10 11 11 12 12 13 14 13 28 7 9 22 8 26 27 5 8 10 15 6 9 7 11 12 16 17 18 19 20 21 13 23 14 24 14 25 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 4 5 8 10 15 3 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 27 28 2.5369 6.0812 7.6811 6.3919 6.0812 5.135 5.135 7.3704 6.6648 5.724 4.269 4.269 3.403 3.403 5.5602 7.391 7.9842 7.2848 6.1855 5.31 5.2626 6.2738 4.269 4.269 2.866 8.2877 7.267 2 0.0103 -1.7944 1.9223 0.7656 -0.185 -0.4897 -1.4897 0.9718 -0.9897 1.5098 0.0103 -1.9897 -0.4897 -1.4897 0.5903 0.3521 0.8844 -0.9897 1.9239 1.9713 1.0958 -2.3838 0.6303 -2.6097 -1.7997 2.0502 2.3838 -0.2997 8 8 3 8 8 8 8 8 8 8 8 2 2 4 5 5 6 6 7 11 12 13 7 9 15 6 9 7 11 12 13 14 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 198 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C073200000000000000000000000000000016000000030000000000000005801F000001E00100800000D0CC19E043EC6F2C99200A0033467440082802031222008D9A03E6C980826E2C2919384700864D011C8D807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(2-amino-1-methyl-ethyl)-1H-indol-5-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1-aminopropan-2-yl)-1H-indol-5-ol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1-aminopropan-2-yl)-1H-indol-5-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1-azanylpropan-2-yl)-1H-indol-5-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(2-amino-1-methyl-ethyl)-1H-indol-5-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H14N2O/c1-7(5-12)10-6-13-11-3-2-8(14)4-9(10)11/h2-4,6-7,13-14H,5,12H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RPGDCRNUJYFGLT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 190.110613 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H14N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 190.24166 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(CN)C1=CNC2=C1C=C(C=C2)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(CN)C1=CNC2=C1C=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 62 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 190.110613 14 1 0 1 0 0 0 0 1 9