24818103 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 7 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 1 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 21 22 22 21 39 23 4 5 6 11 24 7 9 8 10 13 25 14 26 15 27 16 28 12 29 17 20 18 30 19 31 18 32 19 33 21 34 35 36 22 37 23 23 38 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 11 4 29 12 17 20 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 3.732 5.4641 4.5981 4.5981 3.732 5.4641 3.732 5.4641 2.866 6.3301 5.4641 5.4641 2.866 6.3301 2 7.1962 4.5981 2 7.1962 6.3301 4.5981 6.3301 5.4641 4.0611 4.269 4.9272 2.866 6.3301 6.001 2.866 6.3301 1.4631 7.7331 4.0611 1.4631 7.7331 6.8671 6.8671 3.1951 -2.75 -3.75 1.75 0.75 2.25 2.25 3.25 3.25 1.75 1.75 0.25 -0.75 3.75 3.75 2.25 2.25 -1.25 3.25 3.25 -1.25 -2.25 -2.25 -2.75 0.44 3.56 3.56 1.13 1.13 0.56 4.37 4.37 1.94 1.94 -0.94 3.56 3.56 -0.94 -2.56 -2.44 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 9 10 13 14 15 16 7 9 8 10 13 14 15 16 18 19 18 19 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 492 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000014000001E00180800000C0CC1900430C0826202008802A456400282040021220018A8804064C8082062C0919184600860C000C8C9871000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-diphenylhydrazino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-diphenylhydrazinyl)methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>Z</I>)-4-[(2,2-diphenylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-diphenylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(2,2-diphenylhydrazinyl)methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z)-4-[(N',N'-diphenylhydrazino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16N2O2/c22-18-12-11-15(13-19(18)23)14-20-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,23H/b15-14- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DXEPXEIKZCSQJS-PFONDFGASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.121177757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)N(C2=CC=CC=C2)NC=C3C=CC(=O)C(=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)N(C2=CC=CC=C2)N/C=C\3/C=CC(=O)C(=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.121177757 23 0 0 0 1 1 0 0 1 -1