69742961 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 8 8 7 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 2 2 3 3 3 4 4 4 5 6 6 8 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 7 8 29 5 7 11 5 6 9 10 7 8 12 13 20 14 21 22 23 24 15 16 14 25 26 17 27 18 28 19 30 19 31 32 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 6 4 7 8 2 12 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 6.2619 4.3211 4.6783 3.732 3.732 4.6783 5.2619 4.9889 2.866 2.866 4.9889 5.9674 2 2 6.6353 6.2781 7.6138 7.2566 7.9244 2.866 2.866 4.3996 5.1815 5.5783 1.4631 1.4631 6.4427 5.864 4.5137 8.0279 7.4492 8.5311 -0.6815 1.8181 -1.4862 -0.1815 -1.1815 0.1233 -0.6815 1.0738 0.3185 -1.6815 -2.4367 1.28 -0.1815 -1.1815 0.5357 2.2305 0.7419 2.4367 1.6924 0.9385 -2.3015 -2.6293 -3.026 -2.2441 0.1285 -1.4915 -0.0536 2.692 2.4074 0.2804 3.026 1.8203 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 9 10 12 12 13 15 16 17 18 5 9 10 13 14 15 16 14 17 18 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 396 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 1 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 00000371C07A3000000000000000000000000000000160000000306000000000000058014000001E00000800000C0C81980432C083000200880225525000820000212200088801086CC8082632C0959184700864C601C8D9079CC8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[hydroxy(phenyl)methylene]-1-methyl-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[hydroxy(phenyl)methylidene]-1-methyl-2-indolone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>E</I>)-3-[hydroxy(phenyl)methylidene]-1-methylindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[hydroxy(phenyl)methylidene]-1-methylindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-1-methyl-3-[oxidanyl(phenyl)methylidene]indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[hydroxy(phenyl)methylene]-1-methyl-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)14(16(17)19)15(18)11-7-3-2-4-8-11/h2-10,18H,1H3/b15-14+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FOPASVGIZAQTIU-CCEZHUSRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.094628657 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H13NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C(=C(C3=CC=CC=C3)O)C1=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2/C(=C(/C3=CC=CC=C3)\O)/C1=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.094628657 19 0 0 0 1 1 0 0 1 -1