3772821 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 -1 1 1 2 3 4 4 4 5 5 5 6 6 7 8 9 9 9 10 10 11 11 12 13 12 22 14 14 7 8 16 6 7 10 8 9 11 15 14 17 18 12 19 13 20 13 21 1 1 1 2 1 1 1 1 2 1 2 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 2.5369 7.6811 8.0382 6.0812 5.135 6.0812 5.135 6.6648 6.3919 4.269 4.269 3.403 3.403 7.3704 7.2848 6.2738 6.3713 5.7781 4.269 4.269 2.866 2 0.241 2.153 0.4582 -1.5637 -0.259 0.0458 -1.259 -0.759 0.9963 0.241 -1.759 -0.259 -1.259 1.2025 -0.759 -2.153 1.6159 1.0836 0.861 -2.379 -1.569 -0.069 8 8 8 8 8 8 8 8 8 8 4 4 5 5 5 6 7 10 11 12 7 8 6 7 10 8 11 12 13 13 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 226 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C072300000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043CCEF2C99200A80334F74C0082802031222008D9A13E6C980826F2C2959384700864D011C8D807BCD9F39E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)acetate 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)acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-oxidanyl-1H-indol-3-yl)ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-hydroxy-1H-indol-3-yl)acetate InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DUUGKQCEGZLZNO-UHFFFAOYSA-M Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.050418117 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H8NO3- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1O)C(=CN2)CC(=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1O)C(=CN2)CC(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 76.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.050418117 14 0 0 0 0 0 0 0 1 -1