54687618 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 17 8 8 7 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 1 2 2 3 4 4 4 5 5 6 6 6 8 9 9 9 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 10 8 37 7 5 7 11 10 12 7 8 9 10 13 24 25 14 15 16 17 26 27 28 18 29 19 30 20 31 21 32 22 33 22 34 23 35 23 36 38 39 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 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 6.3301 4.5981 2.866 4.5981 5.4641 3.732 3.732 4.5981 2.866 5.4641 4.5981 6.3301 2 3.732 5.4641 6.3301 7.1962 3.732 5.4641 7.1962 8.0622 4.5981 8.0622 3.2646 2.4675 1.69 1.4631 2.31 3.1951 6.001 5.7932 7.1962 3.1951 6.001 7.1962 8.5991 4.0611 4.5981 8.5991 1.845 2.845 -0.155 -0.155 0.345 1.345 0.345 1.845 1.845 1.345 -1.155 -0.155 1.345 -1.655 -1.655 -1.155 0.345 -2.655 -2.655 -1.655 -0.155 -3.155 -1.155 2.32 2.32 1.8819 1.035 0.8081 -1.345 -1.345 -1.465 0.965 -2.965 -2.965 -2.275 0.155 3.155 -3.775 -1.465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 8 11 11 12 12 14 15 16 17 18 19 20 21 5 7 10 7 8 10 14 15 16 17 18 19 20 21 22 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 526 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000040000000000000000000000000000000000306080000000000000014000001E02000800000C0E81980032C0830002008802255250008200002122000888010065C8082432C09191843008608400C8D9071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-3-ethyl-4-hydroxy-1,6-diphenyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-3-ethyl-4-hydroxy-1,6-diphenyl-2-pyridinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloranyl-3-ethyl-4-oxidanyl-1,6-diphenyl-pyridin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-3-ethyl-4-hydroxy-1,6-diphenyl-2-pyridone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16ClNO2/c1-2-15-18(22)16(20)17(13-9-5-3-6-10-13)21(19(15)23)14-11-7-4-8-12-14/h3-12,22H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VGVUZJKUKXOZAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.0869564 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16ClNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.0869564 23 0 0 0 0 0 0 0 1 -1