49835877 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 33 34 35 36 37 38 8 8 8 7 7 6 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 1 1 1 1 2 2 3 4 4 4 5 6 6 6 7 8 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 16 17 19 19 20 21 21 21 22 22 22 17 21 18 22 18 5 7 10 8 7 8 11 12 9 15 16 18 23 24 13 25 14 26 14 27 28 17 29 19 30 20 20 31 32 33 34 35 36 37 38 1 1 1 1 2 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 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 33 34 35 36 37 38 7.2566 6.2781 6.6353 4.6783 5.2619 3.732 3.732 4.6783 4.9889 4.9889 2.866 2.866 2 2 5.9674 4.3211 6.2781 5.9674 4.6318 5.6103 7.5673 7.2566 4.3751 4.9684 2.866 2.866 1.4631 1.4631 6.3815 3.7144 4.2177 5.8029 8.1566 7.7599 6.978 7.1288 7.8633 7.3845 2.643 -3.3872 -1.6924 -1.28 -0.4753 0.0247 -0.9753 0.3295 1.28 -2.2305 0.5247 -1.4753 0.0247 -0.9753 1.4862 2.0243 2.4367 -2.4367 2.9748 3.181 3.5935 -3.5935 -2.3179 -2.8502 1.1447 -2.0953 0.3347 -1.2853 1.0247 1.8964 3.4363 3.7704 3.4009 4.1828 3.7861 -4.2001 -3.7213 -2.9868 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 6 7 9 9 11 12 13 15 16 17 19 5 7 8 7 8 11 12 15 16 13 14 14 17 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 390 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016000000030600000000000005801F400001E00080000000C0CC19E0632CEF2080400AA0324F24C00920C0021A20018D820BE6C980E26A2C4F1FB85B42864C811D8E807B0C0F00E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[3-(3-methoxyphenyl)indazol-1-yl]acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(3-methoxyphenyl)-1-indazolyl]acetic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[3-(3-methoxyphenyl)indazol-1-yl]acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[3-(3-methoxyphenyl)indazol-1-yl]acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[3-(3-methoxyphenyl)indazol-1-yl]ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(3-methoxyphenyl)indazol-1-yl]acetic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H16N2O3/c1-21-13-7-5-6-12(10-13)17-14-8-3-4-9-15(14)19(18-17)11-16(20)22-2/h3-10H,11H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HKESSCOHFVBZRN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.11609238 22 0 0 0 0 0 0 0 1 -1