9578137 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 8 7 7 7 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 2 3 4 4 4 5 5 6 6 6 7 8 8 9 9 10 10 11 12 13 13 14 14 15 15 15 16 17 18 18 18 16 3 5 23 7 8 18 30 9 10 7 13 15 14 11 12 11 19 12 20 21 22 16 24 17 25 26 27 28 17 29 31 32 33 2 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 -1 2 7 6 14 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 3.732 2.866 3.732 2.866 2.866 4.5981 3.732 2.866 2 3.732 2 3.732 4.5981 2.866 5.4641 3.732 2.866 2 1.4631 4.269 1.4631 4.269 2.3291 5.135 2.3291 5.1541 6.001 5.7741 2.3291 3.403 1.69 1.4631 2.31 4.5 0 0.5 -4 -1 2 1.5 -3 -1.5 -1.5 -2.5 -2.5 3 2 1.5 3.5 3 -4.5 -1.19 -1.19 -2.81 -2.81 0.31 3.31 1.69 0.9631 1.19 2.0369 3.31 -4.31 -3.9631 -4.81 -5.0369 8 8 8 8 8 8 5 5 8 8 9 10 9 10 11 12 11 12 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 401 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732000000000000000000000000000000000000000304000000000000000010000001E00180000000C0C81900432C082E20000A803A47240009204002102001888803864D8082022C0919184200860980048C9871000000000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-3-methyl-4-[[4-(methylamino)phenyl]hydrazono]cyclohexa-2,5-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-3-methyl-4-[[4-(methylamino)phenyl]hydrazinylidene]-1-cyclohexa-2,5-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>E</I>)-3-methyl-4-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-3-methyl-4-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-3-methyl-4-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-3-methyl-4-[[4-(methylamino)phenyl]hydrazono]cyclohexa-2,5-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O/c1-10-9-13(18)7-8-14(10)17-16-12-5-3-11(15-2)4-6-12/h3-9,15-16H,1-2H3/b17-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MXBWLNLNARYSCK-SAPNQHFASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC\1=CC(=O)C=C/C1=N\NC2=CC=C(C=C2)NC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 53.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 18 0 0 0 1 1 0 0 1 -1