10731357 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 8 8 7 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 3 3 3 4 4 4 5 6 6 7 8 8 8 9 9 10 11 11 12 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 21 12 21 10 5 6 9 5 7 8 10 7 11 22 14 23 24 13 25 15 12 26 13 27 28 29 30 16 17 18 31 19 32 20 33 20 34 35 36 37 38 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 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 2.866 6.0531 5.4641 6.9939 6.4103 5.4641 6.4103 7.9939 4.5981 6.721 4.5981 3.732 3.732 8.4939 7.6995 8.0102 8.3673 8.9887 9.3458 9.6565 2 6.6029 7.8863 8.5765 4.5981 4.5981 3.1951 9.0309 8.8039 7.957 7.5961 8.1747 9.1813 9.7599 10.2632 1.69 1.4631 2.31 2.0591 -1.4404 0.5591 1.0591 0.2544 1.5591 1.8638 1.0591 0.0591 -0.6961 2.0591 1.5591 0.5591 1.9251 -0.9024 -1.8529 -0.1581 -2.0591 -0.3643 -1.3148 1.5591 2.4532 0.4485 0.8471 -0.5609 2.6791 0.2491 1.6151 2.4621 2.2351 -2.3144 0.4313 -2.6484 0.0972 -1.4427 2.096 1.2491 1.0222 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 6 6 9 11 12 15 15 16 17 18 19 5 6 9 5 7 7 11 13 12 13 16 17 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 364 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000000000001600000003C400000000000005801F000001E00000000000C0CC19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB84312866C019C8E98798C9F09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxy-indolizin-3-yl)-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxy-3-indolizinyl)-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxyindolizin-3-yl)-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxyindolizin-3-yl)-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxy-indolizin-3-yl)-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-ethyl-7-methoxy-indolizin-3-yl)-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17NO2/c1-3-13-11-15-12-16(21-2)9-10-19(15)17(13)18(20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BFQBNDJZMQSGRA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C(N2C=CC(=CC2=C1)OC)C(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C(N2C=CC(=CC2=C1)OC)C(=O)C3=CC=CC=C3 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 2021.05.07 279.125928785 21 0 0 0 0 0 0 0 1 -1