3579176 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 39 40 41 42 43 44 8 7 6 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 1 1 1 1 1 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 14 14 14 15 15 16 16 16 17 18 18 19 19 20 20 21 13 13 14 15 7 8 9 13 7 10 11 24 8 10 12 23 9 11 12 22 26 27 28 29 25 30 31 32 33 34 35 36 16 37 38 17 18 17 39 40 19 20 41 21 42 21 43 44 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 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 39 40 41 42 43 44 2.807 4.539 3.673 4.5092 2.8368 2.9819 4.5092 2.8368 2.9819 3.673 3.8876 2 3.673 5.4468 4.6421 6.1139 5.6206 3.9742 5.9312 4.2849 5.2634 2.8478 2.8912 5.1016 2.6383 5.1198 4.7212 2.6247 2.2262 2.3885 3.303 4.043 3.5782 4.4127 1.5188 1.8068 5.136 5.9477 6.5273 6.6168 3.3676 6.5379 3.8708 5.456 0.4852 0.4852 -1.0148 -2.4631 -2.4631 -2.8982 -1.4976 -1.4976 -1.8529 -2.7659 -3.375 -2.9459 -0.0148 0.0801 1.474 0.8171 1.6802 2.2182 2.6307 3.1688 3.375 -3.5035 -3.0807 -2.6458 -1.3369 -1.6052 -0.9149 -0.9149 -1.6052 -2.0324 -3.2634 -3.2634 -3.9123 -3.7046 -2.555 -3.535 -0.4564 -0.2853 0.3551 1.1797 2.0904 2.7586 3.6302 3.9643 8 8 8 8 8 8 15 15 17 18 19 20 17 18 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 415 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371E07A20000000000000000000000000000001600000003060C1830000000058010000001E00000000000F08C1980430C083000000880225525000820000210200088801086488082032C09191842008608600C8C8071888C08F00000000000200000000040000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 1-adamantyl(indolin-1-yl)methanone IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 1-adamantyl(2,3-dihydroindol-1-yl)methanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 1-adamantyl(2,3-dihydroindol-1-yl)methanone IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 1-adamantyl(2,3-dihydroindol-1-yl)methanone IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 1-adamantyl(indolin-1-yl)methanone InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 PUOVTWNUSGOYMF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 3.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 281.177964 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C19H23NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 281.39202 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1CN(C2=CC=CC=C21)C(=O)C34CC5CC(C3)CC(C5)C4 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1CN(C2=CC=CC=C21)C(=O)C34CC5CC(C3)CC(C5)C4 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 20.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 281.177964 21 0 0 0 0 0 0 0 1 1