23035 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 29 30 31 32 8 8 7 7 6 6 6 6 6 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 2 2 3 3 3 4 4 4 5 5 6 7 7 7 8 8 8 9 10 13 13 14 14 15 15 16 16 17 17 18 18 19 20 11 31 12 32 5 9 21 6 10 22 6 11 12 9 11 13 10 12 14 15 16 17 23 18 24 19 25 20 26 19 27 20 28 29 30 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 1 1 1 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 27 28 29 30 31 32 6.5348 4.9889 6.8455 4.6783 6.2619 5.2619 7.7917 3.732 7.7917 3.732 6.8455 4.6783 8.6577 2.866 8.6577 2.866 9.5238 2 9.5238 2 6.6529 4.8709 8.6577 2.866 8.6577 2.866 10.0607 1.4631 10.0607 1.4631 6.9489 4.5749 1.3439 1.3439 -1.2161 -1.2161 -0.4113 -0.4113 0.0887 0.0887 -0.9113 -0.9113 0.3934 0.3934 0.5887 0.5887 -1.4113 -1.4113 0.0887 0.0887 -0.9113 -0.9113 -1.8054 -1.8054 1.2087 1.2087 -2.0313 -2.0313 0.3987 0.3987 -1.2213 -1.2213 1.8054 1.8054 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 7 7 7 8 8 8 9 10 13 14 15 16 17 18 5 9 6 10 11 12 9 11 13 10 12 14 15 16 17 18 19 20 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 330 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B3000000000000000000000000000000162C0000030600000000000005801FE00001E00100800000C0C819E0030C6F2C99200A00324624404828020216220089920356C980A66E2D2919394700866D019D8D807D0C0F00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-hydroxy-1<I>H</I>-indol-2-yl)-1<I>H</I>-indol-3-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-oxidanyl-1H-indol-2-yl)-1H-indol-3-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3-hydroxy-1H-indol-2-yl)indoxyl InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VIFKLIUAPGUEBV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.089877630 20 0 0 0 0 0 0 0 1 -1