4048638 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 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 3 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 7 8 8 9 10 10 11 11 12 13 12 26 7 9 19 8 22 23 24 5 6 9 8 14 15 7 10 11 16 17 18 12 20 13 21 13 25 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 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 2.5369 6.0812 7.6811 6.0812 6.3919 5.135 5.135 7.3704 6.6648 4.269 4.269 3.403 3.403 6.3713 5.7781 7.391 7.9842 7.2848 6.2738 4.269 4.269 7.8737 8.2704 7.0917 2.866 2 -0.0536 -1.8584 1.8584 -0.2489 0.7016 -0.5536 -1.5536 0.9078 -1.0536 -0.0536 -2.0536 -0.5536 -1.5536 1.3213 0.789 0.2882 0.8205 -1.0536 -2.4477 0.5664 -2.6736 2.4477 1.6658 2.051 -1.8636 -0.3636 8 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 7 10 11 12 7 9 6 9 7 10 11 12 13 13 1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 174 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043CC6F2C99200A0033467440082802031222008D9A03E6C980826E2C2919384700864D011C8D807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)ethylammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)ethylammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1<I>H</I>-indol-3-yl)ethylazanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)ethylazanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-oxidanyl-1H-indol-3-yl)ethylazanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)ethylammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QZAYGJVTTNCVMB-UHFFFAOYSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 177.102788042 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H13N2O+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 177.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1O)C(=CN2)CC[NH3+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1O)C(=CN2)CC[NH3+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 177.102788042 13 0 0 0 0 0 0 0 1 -1