62024462 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 8 8 7 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 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 18 18 19 20 20 20 9 17 20 4 5 7 6 10 9 21 22 8 11 8 23 24 12 13 25 14 26 15 16 14 27 28 17 29 18 30 19 19 31 32 33 34 35 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 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 6.6353 8.5458 4.6783 3.732 4.9889 3.732 5.2619 4.6783 5.9674 2.866 2.866 6.2781 2 2 7.2566 5.6103 7.5673 5.9209 6.8994 8.8564 4.3751 4.9684 5.8819 4.8709 2.866 2.866 1.4631 1.4631 7.6707 5.0036 5.5069 7.092 8.2671 9.049 9.4458 0.8956 -2.1622 1.308 1.6127 0.3575 2.6127 2.1127 2.9175 0.1513 1.1127 3.1127 -0.7993 1.6127 2.6127 -1.0055 -1.5436 -1.956 -2.4941 -2.7003 -3.1127 0.2701 -0.2622 2.1127 3.5068 0.4927 3.7327 1.3027 2.9227 -0.544 -1.4157 -2.9556 -3.2896 -3.3054 -3.7021 -2.9201 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 18 4 7 6 10 8 11 8 13 14 15 16 14 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 344 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07A300000000000000000000000000000016000000030600000000000005801F400001E00000000000C0CC19E063EC6F30C1400A803B477440082882035222008D821BE6CD80C26F2C4B5BB84312864C011C8E9879AD8B28E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-(3-methoxyphenyl)ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-indolyl)-1-(3-methoxyphenyl)ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-(3-methoxyphenyl)ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-(3-methoxyphenyl)ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-(3-methoxyphenyl)ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-indol-1-yl-1-(3-methoxyphenyl)ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H15NO2/c1-20-15-7-4-6-14(11-15)17(19)12-18-10-9-13-5-2-3-8-16(13)18/h2-11H,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FOSLIUYXJNMVKK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.110278721 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H15NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C(=O)CN2C=CC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=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 2021.05.07 265.110278721 20 0 0 0 0 0 0 0 1 -1