62023540 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 2 2 3 3 3 4 4 5 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 20 21 21 21 9 17 20 4 5 7 6 10 9 22 23 8 11 8 24 25 12 13 26 14 27 15 16 14 28 29 18 30 19 31 18 19 32 33 21 34 35 36 37 38 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 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 6.6353 7.2101 4.6783 3.732 4.9889 3.732 5.2619 4.6783 5.9674 2.866 2.866 6.2781 2 2 5.6103 7.2566 6.8994 5.9209 7.5673 8.1886 8.4993 4.3751 4.9684 5.8819 4.8709 2.866 2.866 1.4631 1.4631 5.0036 7.6707 5.5069 8.1739 8.8024 8.2092 7.9099 8.6919 9.0886 1.743 -2.8034 2.1554 2.4602 1.2049 3.4602 2.9602 3.7649 0.9987 1.9602 3.9602 0.0482 2.4602 3.4602 -0.6961 -0.1581 -1.8529 -1.6467 -1.1086 -3.0096 -3.9602 1.1175 0.5852 2.9602 4.3542 1.3402 4.5802 2.1502 3.7702 -0.5683 0.3034 -2.1081 -1.2364 -2.9223 -2.39 -4.1528 -4.5495 -3.7675 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 10 11 12 12 13 15 16 17 17 4 7 6 10 8 11 8 13 14 15 16 14 18 19 18 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 349 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A300000000000000000000000000000016000000030600000000000005801F400001E00000000000C0CE19E063EC6F30C1400A803B477440082882035222008D821BE6CD80C26F2C4B5BB863928E4C011C8E98798CC80CE20000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-ethoxyphenyl)-2-indol-1-yl-ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-ethoxyphenyl)-2-(1-indolyl)ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-ethoxyphenyl)-2-indol-1-ylethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-ethoxyphenyl)-2-indol-1-ylethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-ethoxyphenyl)-2-indol-1-yl-ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-p-phenetyl-ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17NO2/c1-2-21-16-9-7-15(8-10-16)18(20)13-19-12-11-14-5-3-4-6-17(14)19/h3-12H,2,13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WOBOLJMVCKIKES-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 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 CCOC1=CC=C(C=C1)C(=O)CN2C=CC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=C(C=C1)C(=O)CN2C=CC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 31.2 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