60107100 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 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 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 7 7 8 9 9 10 10 11 12 13 14 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 24 24 25 25 26 23 11 15 12 5 6 10 7 9 8 12 8 27 28 11 29 13 30 13 14 31 17 18 16 32 33 19 20 21 34 22 35 24 36 25 37 23 38 23 39 26 40 26 41 42 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 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 13.2331 5.4641 8.6512 8.0622 8.0622 9.0084 9.0084 9.592 7.1962 7.1962 6.3301 9.3191 6.3301 10.2976 4.5981 3.732 10.6082 10.9654 2.866 3.732 11.5867 11.9439 12.2546 2 2.866 2 9.201 10.212 7.1962 7.1962 5.7932 4.1996 4.9966 10.1942 10.7728 2.866 4.269 11.7793 12.358 1.4631 2.866 1.4631 -2.271 1.3091 -2.1904 -0.1909 0.8091 -0.4956 1.1138 0.3091 1.3091 -0.6909 0.8091 -1.4462 -0.1909 -1.6524 0.8091 1.3091 -2.6029 -0.9081 0.8091 2.3091 -2.8091 -1.1143 -2.0648 1.3091 2.8091 2.3091 1.7032 0.3091 1.9291 -1.3109 -0.5009 0.3342 0.3342 -3.0644 -0.3187 0.1891 2.6191 -3.3984 -0.6528 0.9991 3.4291 2.6191 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 7 9 10 11 14 14 16 16 17 18 19 20 21 22 24 25 5 6 10 7 9 8 8 11 13 13 17 18 19 20 21 22 24 25 23 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 471 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A31000000000000000000000000000001600000003C608000000000005801F400001F00000000000C0CE19E0E3CC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB863928E6C019C8E98798C9E09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7-benzyloxyindolizin-3-yl)-(4-fluorophenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-(7-phenylmethoxy-3-indolizinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-(7-phenylmethoxyindolizin-3-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-(7-phenylmethoxyindolizin-3-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-(7-phenylmethoxyindolizin-3-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (7-benzoxyindolizin-3-yl)-(4-fluorophenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H16FNO2/c23-18-8-6-17(7-9-18)22(25)21-11-10-19-14-20(12-13-24(19)21)26-15-16-4-2-1-3-5-16/h1-14H,15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IOFIHTOINXZWDM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 345.11650692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H16FNO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 345.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)COC2=CC3=CC=C(N3C=C2)C(=O)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)COC2=CC3=CC=C(N3C=C2)C(=O)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 345.11650692 26 0 0 0 0 0 0 0 1 -1