71378498 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 9 8 7 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 2 3 3 3 4 4 5 5 6 6 8 8 9 9 10 10 11 12 13 13 14 14 14 15 15 16 16 17 17 18 18 19 7 11 4 5 9 6 8 7 11 7 20 10 21 12 22 12 14 13 23 15 16 24 25 26 17 27 18 28 19 29 19 30 31 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 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 29 30 31 7.1279 5.1871 4.5981 4.5981 5.5443 5.5443 6.1279 3.732 3.732 2.866 5.855 2.866 6.8335 2 7.1441 7.5013 8.1226 8.4798 8.7905 5.7369 3.732 3.732 2.3291 2.31 1.4631 1.69 6.7301 7.3087 8.3152 8.8939 9.3972 1.0591 -1.4404 0.5591 1.5591 0.2544 1.8638 1.0591 2.0591 0.0591 1.5591 -0.6961 0.5591 -0.9024 2.0591 -1.8529 -0.1581 -2.0591 -0.3643 -1.3148 2.4532 2.6791 -0.5609 0.2491 2.596 2.3691 1.5222 -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 4 5 6 8 9 10 13 13 15 16 17 18 4 5 9 6 8 7 7 10 12 12 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 340 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 00000371C07A21000000000000000000000000000001600000003C400000000000005801F000001F00000000000C0CC19E0C3EC0B30C1800A803B477440082802037022008D821B864D80820F2C095B1842108608000C8C9871889C09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-7-methyl-indolizin-3-yl)-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-7-methyl-3-indolizinyl)-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-7-methylindolizin-3-yl)-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-7-methylindolizin-3-yl)-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoranyl-7-methyl-indolizin-3-yl)-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-fluoro-7-methyl-indolizin-3-yl)-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H12FNO/c1-11-7-8-18-13(9-11)10-14(17)15(18)16(19)12-5-3-2-4-6-12/h2-10H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LZZSURSYSLSOGD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.090292168 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H12FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=CC(=C(N2C=C1)C(=O)C3=CC=CC=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=CC(=C(N2C=C1)C(=O)C3=CC=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 2021.10.14 253.090292168 19 0 0 0 0 0 0 0 1 -1