42993266 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 8 7 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 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 7 8 8 8 9 9 10 11 11 12 12 13 14 15 15 16 16 17 17 18 10 4 7 10 14 17 5 8 19 6 20 21 7 9 11 22 23 24 12 25 14 13 26 13 27 28 15 16 29 18 30 18 31 32 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 4 2 5 8 19 3 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 4.3211 4.6783 6.2781 5.2619 4.6783 3.732 3.732 6.2619 2.866 4.9889 2.866 2 2 5.9674 6.6353 7.6138 7.2566 7.9244 5.5436 5.2156 4.4272 6.2619 6.8819 6.2619 2.866 2.866 1.4631 1.4631 6.4427 8.0279 7.4492 8.5311 -1.4404 0.2544 -1.8529 1.0591 1.8638 1.5591 0.5591 1.0591 2.0591 -0.6961 0.0591 1.5591 0.5591 -0.9024 -0.1581 -0.3643 -2.0591 -1.3148 0.5068 2.1731 2.4307 0.4391 1.0591 1.6791 2.6791 -0.5609 1.8691 0.2491 0.4313 0.0972 -2.6484 -1.4427 8 8 3 8 8 8 8 8 8 8 8 8 8 3 3 4 6 6 7 9 11 12 14 15 16 17 14 17 8 7 9 11 12 13 13 15 16 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 318 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07320000000000000000000000000000001600000003C400000000000005801C000001E00000000000C28C19E043EC093081000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871888800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methylindolin-1-yl)-(2-pyridyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-(2-pyridinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-pyridin-2-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methylindolin-1-yl)-(2-pyridyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N2O/c1-11-10-12-6-2-3-8-14(12)17(11)15(18)13-7-4-5-9-16-13/h2-9,11H,10H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OXKJXUQNSHUJBF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2=CC=CC=C2N1C(=O)C3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2=CC=CC=C2N1C(=O)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 33.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.110613074 18 1 0 1 0 0 0 0 1 -1