45793607 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 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 8 9 9 10 10 11 12 12 13 14 14 15 15 16 17 17 17 8 4 7 8 11 15 17 5 18 19 6 20 21 7 9 10 11 12 22 13 23 14 13 24 25 16 26 16 27 28 29 30 31 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 2 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 4.3211 4.6783 6.7094 5.2619 4.6783 3.732 3.732 4.9889 2.866 2.866 5.9674 2 2 6.3758 7.5763 7.3701 6.6032 5.7227 5.7227 5.2156 4.4272 2.866 2.866 1.4631 1.4631 6.0667 8.1423 7.7858 7.2197 6.5373 5.9867 -1.5624 0.1324 -0.3539 0.9372 1.7419 1.4372 0.4372 -0.8181 1.9372 -0.0628 -1.0243 1.4372 0.4372 -1.9372 -0.8524 -1.8309 0.6404 0.5224 1.3519 2.0511 2.3088 2.5572 -0.6828 1.7472 0.1272 -2.4746 -0.5992 -2.2909 0.7063 1.2569 0.5746 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 9 10 11 12 14 15 11 15 7 9 10 12 13 14 13 16 16 0 Compound Canonicalized 5 2010.05.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 305 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371C0732000000000000000000000000000000162C0000030000000000000005801C000001E00000000000C08C19E043EC0930C1000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871881800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl-(1-methylpyrrol-2-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-methyl-2-pyrrolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-methylpyrrol-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-methylpyrrol-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dihydroindol-1-yl-(1-methylpyrrol-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-1-yl-(1-methylpyrrol-2-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H14N2O/c1-15-9-4-7-13(15)14(17)16-10-8-11-5-2-3-6-12(11)16/h2-7,9H,8,10H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YQYZVRMSCZFFER-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 226.110613074 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H14N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 226.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=CC=C1C(=O)N2CCC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=CC=C1C(=O)N2CCC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 25.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 226.110613074 17 0 0 0 0 0 0 0 1 -1