24049021 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 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 2 3 3 4 4 4 5 5 6 6 7 7 8 8 9 10 10 11 11 12 13 13 13 14 15 15 16 17 17 18 18 19 19 20 20 21 21 22 22 24 24 25 25 26 27 27 28 23 12 26 45 6 7 10 14 20 8 12 9 11 9 13 14 15 29 16 30 17 31 32 33 34 16 35 36 18 19 21 37 22 38 24 25 23 39 23 40 26 41 27 42 28 28 43 44 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 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 33 34 35 36 37 38 39 40 41 42 43 44 45 8.903 4.3211 3.6067 3.732 4.3211 4.6783 3.732 5.2619 4.6783 2.866 2.866 4.9889 6.2619 4.9889 2 2 5.9674 6.2781 6.6353 4.6318 7.2566 7.6138 7.9244 3.9639 5.6103 4.2746 5.9209 5.2531 2.866 2.866 6.2619 6.8819 6.2619 5.5956 1.4631 1.4631 5.864 6.4427 7.4492 8.0279 3.3572 6.0243 6.5276 5.4457 3.7993 -4.2603 -4.1797 4.209 -2.1802 0.8194 -2.4849 -1.1802 -1.6802 -0.8754 -2.6802 -0.6802 -3.4354 -1.6802 0.0751 -2.1802 -1.1802 -3.6416 -4.5922 -2.8973 1.7699 -4.7984 -3.1035 -4.0541 2.5142 1.9761 3.4647 2.9267 3.671 -3.3002 -0.0602 -2.3002 -1.6802 -1.0602 0.203 -2.4902 -0.8702 -5.0536 -2.308 -5.3877 -2.6421 2.3864 1.5147 3.0545 4.2603 4.7984 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 6 7 7 8 10 11 15 17 17 18 19 20 20 21 22 24 25 26 27 6 7 10 8 9 11 9 15 16 16 18 19 21 22 24 25 23 23 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 575 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001600000003C608000000000005801F400001F00000800000C0CC19E0C3EC6B30C1A00A803B477440082802037222008D821BE6CD80826F2C295B384710866C019C8D98798D9C19E80000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-3-indolizinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methylindolizin-3-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methylindolizin-3-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H17FN2O2/c1-15-20(14-25-18-5-4-6-19(27)13-18)21-7-2-3-12-26(21)22(15)23(28)16-8-10-17(24)11-9-16/h2-14,27H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WAGXQOIJKNGIDT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.12740595 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H17FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=CC=CC2=C1C=NC3=CC(=CC=C3)O)C(=O)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=CC=CC2=C1C=NC3=CC(=CC=C3)O)C(=O)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 54.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.12740595 28 0 0 0 0 0 0 0 1 -1