10685 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 6 6 6 7 8 8 9 9 10 10 11 11 12 9 23 5 7 16 4 6 7 5 8 10 9 13 14 15 11 17 18 19 12 20 12 21 22 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 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 6.2781 4.6783 4.6783 3.732 3.732 4.9889 5.2619 2.866 5.9674 2.866 2 2 4.9684 4.3751 5.8819 4.8709 2.866 5.988 6.5812 2.866 1.4631 1.4631 6.8848 2.0891 -1.6276 -0.0182 -0.3229 -1.3229 0.9324 -0.8229 0.1771 1.1386 -1.8229 -0.3229 -1.3229 1.552 1.0197 -0.8229 -2.217 0.7971 0.5189 1.0512 -2.4429 -0.0129 -1.6329 2.217 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 8 10 11 5 7 4 7 5 8 10 11 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 149 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C072200000000000000000000000000000016000000030000000000000005801F000001E00100800000C08E19E063CC0F2C99200A0033467440082802031022008D9A03864980830E2C0919184600864D001C8C807B0D0E30E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-indol-3-yl)ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-indol-3-yl)ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1<I>H</I>-indol-3-yl)ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-indol-3-yl)ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-indol-3-yl)ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-indol-3-yl)ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MBBOMCVGYCRMEA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.084063974 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H11NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=CN2)CCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=CN2)CCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 36 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.084063974 12 0 0 0 0 0 0 0 1 -1