31315 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 8 8 8 7 6 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 2 2 3 3 4 4 4 5 5 5 5 6 6 8 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 7 23 38 24 39 7 10 25 6 7 8 9 10 11 13 15 14 16 12 17 26 18 27 19 28 20 29 21 30 22 31 18 32 33 23 34 24 35 23 36 24 37 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 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 32 33 34 35 36 37 38 39 6.2619 7.9184 2.8065 4.6783 4.6783 3.732 5.2619 5.4883 4.2103 3.732 2.866 2.866 6.4011 4.7417 5.3855 3.211 2 2 7.2112 4.2738 6.1955 2.7431 7.1084 3.2744 4.8709 2.866 2.866 6.4649 5.3613 4.8195 2.8815 1.4631 1.4631 7.7771 4.6032 6.1318 2.1235 8.4844 2.1869 -1.4842 1.6661 2.8556 -2.2889 -0.6795 -0.9842 -1.4842 -0.0931 0.2043 -1.9842 -0.4842 -2.4842 -0.5014 1.0514 0.9016 0.2409 -0.9842 -1.9842 0.085 1.9352 1.488 1.1247 1.0797 1.9718 -2.8783 0.1358 -3.1042 -1.1181 1.0287 1.1548 -0.2843 -0.6742 -2.2942 -0.1682 2.4604 2.1047 1.1474 1.4129 2.8783 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 10 11 12 13 14 15 16 17 19 20 21 22 10 11 13 15 14 16 12 17 18 19 20 21 22 18 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 442 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A30000000000000000000000000000001600000003060C0000000000058015000001E00100800000E0C81980030C682C00200880225525000820000212200088801066C88082632C2959384700864D411C8D8079CC8F08FA0000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(4-hydroxyphenyl)oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SJDACOMXKWHBOW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.10519334 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H15NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.10519334 24 0 0 0 0 0 0 0 1 -1