25559791 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 8 7 7 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 2 2 3 3 4 4 4 4 5 5 6 6 7 8 8 9 9 10 11 11 12 13 14 14 15 15 16 16 17 10 5 7 10 13 16 5 6 18 19 20 21 7 8 9 11 22 12 23 13 12 24 25 14 15 26 17 27 17 28 29 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 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 4.3211 4.6783 6.6353 4.6783 5.2619 3.732 3.732 2.866 2.866 4.9889 2 2 5.9674 6.2781 7.2566 7.6138 7.9244 5.2156 4.4272 5.7227 5.7227 2.866 2.866 1.4631 1.4631 5.864 7.4492 8.0279 8.5311 -1.4404 0.2544 -0.1581 1.8638 1.0591 1.5591 0.5591 2.0591 0.0591 -0.6961 1.5591 0.5591 -0.9024 -1.8529 -2.0591 -0.3643 -1.3148 2.1731 2.4307 0.6444 1.4738 2.6791 -0.5609 1.8691 0.2491 -2.3144 -2.6484 0.0972 -1.4427 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 8 9 11 13 14 15 16 13 16 7 8 9 11 12 12 14 15 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 292 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 00000371C07320000000000000000000000000000001600000003C400000000000005801C000001E00000000000C08C19E043CC093081000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871888800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl(2-pyridyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl(2-pyridinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl(pyridin-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl(pyridin-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl(pyridin-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl(2-pyridyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H12N2O/c17-14(12-6-3-4-9-15-12)16-10-8-11-5-1-2-7-13(11)16/h1-7,9H,8,10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NBDXKODRCDMRSW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=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 2021.05.07 224.094963011 17 0 0 0 0 0 0 0 1 -1