9577105 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 3 3 4 5 5 6 6 7 7 7 8 8 9 9 10 10 11 12 13 14 15 15 16 17 17 17 18 18 18 14 4 5 24 6 18 27 8 9 10 11 12 13 14 17 13 15 11 19 12 20 21 22 23 16 16 25 26 28 29 30 31 32 33 2 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 -1 2 8 13 15 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 2.866 3.732 2.866 2.866 4.5981 3.732 2 3.732 2 3.732 4.5981 3.732 2.866 2.866 5.4641 2 1.4631 4.269 1.4631 4.269 5.135 2.3291 2.3291 2.3291 3.403 5.7741 6.001 5.1541 1.69 1.4631 2.31 4.5 0 -4 0.5 -1 -3 3 1.5 -1.5 -1.5 -2.5 -2.5 2 3.5 2 3 3.5 -4.5 -1.19 -1.19 -2.81 -2.81 1.69 0.31 1.69 3.31 -4.31 2.9631 3.81 4.0369 -3.9631 -4.81 -5.0369 8 8 8 8 8 8 5 5 6 6 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 00000371C0732000000000000000000000000000000000000000304000000000000000010000001E00180000000C0C81900432C082E20000A803A47240009204002102001888811864D8082022C0919184200860980048C9871000000000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E)-2-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)-2-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>)-2-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)-2-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)-2-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)-2-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(7-8-14(10)18)17-16-12-5-3-11(15-2)4-6-12/h3-9,15-16H,1-2H3/b17-13+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WYWPVVDSGAGATG-GHRIWEEISA-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(=NNC2=CC=C(C=C2)NC)C=CC1=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C/C(=N/NC2=CC=C(C=C2)NC)/C=CC1=O 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