2107 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 7 8 9 10 10 11 11 11 12 12 13 14 13 28 8 9 19 6 25 26 5 6 15 16 7 9 11 17 8 10 12 18 13 23 20 21 22 14 24 14 27 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 6 3 4 11 17 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 7.3704 5.135 5.135 6.6648 4.269 8.0382 4.269 3.403 3.403 6.3713 5.7781 7.9771 7.2848 6.2738 7.5768 8.4523 8.4997 4.269 4.269 8.2877 7.267 2.866 2 0.0103 -1.7944 1.9223 0.7656 -0.185 0.9718 -0.4897 -1.4897 -0.9897 0.0103 0.2275 -1.9897 -0.4897 -1.4897 1.3852 0.8529 1.0996 -0.9897 -2.3838 -0.1866 -0.234 0.6415 0.6303 -2.6097 2.0502 2.3838 -1.7997 -0.2997 8 8 8 8 3 8 8 8 8 8 8 2 2 5 5 6 7 7 8 10 12 13 8 9 7 9 3 8 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 2021.10.14 198 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C2CC19E043EC6F2C99200A0033467440082802031222008D9A03E6C980826E2C2919384700864D011C8D807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminopropyl)-1H-indol-5-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminopropyl)-1H-indol-5-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminopropyl)-1<I>H</I>-indol-5-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminopropyl)-1H-indol-5-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-azanylpropyl)-1H-indol-5-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-aminopropyl)-1H-indol-5-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LYPCGXKCQDYTFV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CC1=CNC2=C1C=C(C=C2)O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CC1=CNC2=C1C=C(C=C2)O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.110613074 14 1 0 1 0 0 0 0 1 -1