12982374 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 9 8 7 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 2 3 3 3 4 4 5 5 6 7 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 6 8 4 5 9 6 8 7 10 7 19 11 12 20 13 21 14 15 13 22 23 16 24 17 25 18 26 18 27 28 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 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 6.2619 4.3211 3.732 4.6783 3.732 5.2619 4.6783 4.9889 2.866 2.866 5.9674 2 2 6.2781 6.6353 7.2566 7.6138 7.9244 4.8709 2.866 2.866 1.4631 1.4631 5.864 6.4427 7.4492 8.0279 8.5311 1.0591 -1.4404 0.5591 0.2544 1.5591 1.0591 1.8638 -0.6961 0.0591 2.0591 -0.9024 0.5591 1.5591 -1.8529 -0.1581 -2.0591 -0.3643 -1.3148 2.4532 -0.5609 2.6791 0.2491 1.8691 -2.3144 0.4313 -2.6484 0.0972 -1.4427 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 5 5 6 9 10 11 11 12 14 15 16 17 4 5 9 6 7 10 7 12 13 14 15 13 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 314 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07221000000000000000000000000000001600000003C400000000000005801F000001F00000000000C0CC19E0C3CC0B30C1800A803B477440082802037022008D821B864D80820F2C095B1842108608000C8C9871889C09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoroindolizin-3-yl)-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-3-indolizinyl)-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoroindolizin-3-yl)-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoroindolizin-3-yl)-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoranylindolizin-3-yl)-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoroindolizin-3-yl)-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H10FNO/c16-13-10-12-8-4-5-9-17(12)14(13)15(18)11-6-2-1-3-7-11/h1-10H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AUIYVSLMNQSYAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.074642105 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H10FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.074642105 18 0 0 0 0 0 0 0 1 -1