54687311 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 17 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 3 4 4 5 6 6 6 7 7 7 8 8 9 11 11 12 12 13 13 15 16 16 10 15 17 9 23 14 10 14 21 8 9 10 11 12 13 15 18 16 19 14 20 17 17 22 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 2 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 6.001 6.001 4.269 2.5369 4.269 5.135 4.269 4.269 3.403 5.135 5.135 3.403 3.403 4.269 5.135 3.403 4.269 5.672 2.866 2.866 5.672 2.866 2 -0.5 2.5 3.5 -0.5 -3.5 -2 -0.5 0.5 -1 -1 1 1 -2 -2.5 2 2 2.5 0.69 0.69 -2.31 -2.31 2.31 -0.81 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 11 12 13 15 16 10 14 9 10 11 12 13 15 16 14 17 17 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 406 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180723000060000000000000000000000000000000000304000000000000000010000001E02100800000C06819820300082C00200880221525000820000202500088A400002C808242281131080600024D00108990780C0A00E04000020000000040800004000000008000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloro-5-(3,4-dichlorophenyl)-4-hydroxy-1H-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloro-5-(3,4-dichlorophenyl)-4-hydroxy-1H-pyridin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloro-5-(3,4-dichlorophenyl)-4-hydroxy-1<I>H</I>-pyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloro-5-(3,4-dichlorophenyl)-4-hydroxy-1H-pyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloranyl-5-(3,4-dichlorophenyl)-4-oxidanyl-1H-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-chloro-5-(3,4-dichlorophenyl)-4-hydroxy-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H6Cl3NO2/c12-6-2-1-5(3-7(6)13)10-8(16)4-9(17)15-11(10)14/h1-4H,(H2,15,16,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZXYWDLRGCPHISU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.946412 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H6Cl3NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1C2=C(NC(=O)C=C2O)Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1C2=C(NC(=O)C=C2O)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.946412 17 0 0 0 0 0 0 0 1 -1