5110569 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 39 40 41 42 43 44 45 9 8 8 7 6 6 6 6 6 6 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 1 2 2 3 4 4 4 5 5 6 6 6 7 8 9 9 10 10 11 11 12 12 13 14 14 14 15 15 16 16 17 18 18 20 21 21 21 22 22 23 23 24 24 25 25 26 26 27 19 18 21 17 5 7 11 8 9 7 8 10 17 28 12 14 15 16 13 29 13 30 31 34 35 36 19 32 20 33 37 19 20 38 22 39 40 23 24 25 41 26 42 27 43 27 44 45 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 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 39 40 41 42 43 44 45 8.2619 9.2619 4.3211 3.732 3.732 5.2619 4.6783 4.6783 2.866 6.2619 2.866 2 2 2.866 6.7619 6.7619 4.9889 8.2619 7.7619 7.7619 9.7619 10.7619 11.2619 11.2619 12.2619 12.2619 12.7619 4.8709 2.866 1.4631 1.4631 6.4519 6.4519 3.486 2.866 2.246 5.5956 8.0719 9.8695 9.1793 10.9519 10.9519 12.5719 12.5719 13.3819 -1.4823 0.2498 -2.2498 -0.2502 0.7498 0.2498 -0.555 1.0545 1.2498 0.2498 -0.7502 0.7498 -0.2502 2.2498 -0.6162 1.1158 -1.5055 0.2498 -0.6162 1.1158 1.1158 1.1158 1.9818 0.2498 1.9818 0.2498 1.1158 1.6438 -1.3702 1.0598 -0.5602 -1.1532 1.6527 2.2498 2.8698 2.2498 -1.6333 1.6527 1.7264 1.3278 2.5188 -0.2872 2.5188 -0.2872 1.1158 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 6 9 10 10 11 12 15 16 18 18 22 22 23 24 25 26 5 7 11 8 9 7 8 12 15 16 13 13 19 20 19 20 23 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 495 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 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 00000371E07A31000000000000000000000000000001600000003C608000000000005801F400001F00000000000C0CE19E0E3EC6B30C1C00A8033C77C40082882037222008D821BE6CD80C26F2C4B5BB863928E4C011C8E90798C9F09EA0000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-benzyloxy-3-fluoro-phenyl)-8-methyl-indolizine-3-carbaldehyde IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluoro-4-phenylmethoxyphenyl)-8-methyl-3-indolizinecarboxaldehyde IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluoro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluoro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluoranyl-4-phenylmethoxy-phenyl)-8-methyl-indolizine-3-carbaldehyde IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-benzoxy-3-fluoro-phenyl)-8-methyl-indolizine-3-carbaldehyde InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18FNO2/c1-16-6-5-11-25-21(16)13-19(22(25)14-26)18-9-10-23(20(24)12-18)27-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YVWBJFXHWRSIGE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.13215698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=CC(=C2C=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=CC(=C2C=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.13215698 27 0 0 0 0 0 0 0 1 -1