20194346 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 14 15 16 17 17 17 18 18 18 15 4 5 24 6 18 27 8 9 10 11 12 13 14 17 13 15 11 19 12 20 21 22 23 16 25 16 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 2 1 1 1 1 1 1 1 1 1 4 -1 2 8 15 13 2 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 5.4641 2.866 2.866 3.732 2.866 2.866 2.866 3.732 2 3.732 2 3.732 2.866 3.732 4.5981 4.5981 2 2 1.4631 4.269 1.4631 4.269 2.3291 2.3291 3.732 5.135 3.403 2.31 1.4631 1.69 1.69 1.4631 2.31 2 0.5 -3.5 1 -0.5 -2.5 3.5 2 -1 -1 -2 -2 2.5 4 2.5 3.5 4 -4 -0.69 -0.69 -2.31 -2.31 2.19 0.81 4.62 3.81 -3.81 4.5369 4.31 3.4631 -3.4631 -4.31 -4.5369 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 00000371C0732000000000000000000000000000000000000000304000000000000000010000001E00180000000C0C81900432C082E20000A803A47240009204002102001888813864D8082022C0919184200860980048C9871000000000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-methyl-6-[[4-(methylamino)phenyl]hydrazono]cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-methyl-6-[[4-(methylamino)phenyl]hydrazinylidene]-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6<I>E</I>)-4-methyl-6-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-methyl-6-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-methyl-6-[[4-(methylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-methyl-6-[[4-(methylamino)phenyl]hydrazono]cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O/c1-10-3-8-14(18)13(9-10)17-16-12-6-4-11(15-2)5-7-12/h3-9,15-16H,1-2H3/b17-13+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BKJBRKWFBHDMIJ-GHRIWEEISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 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(=O)C=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C/C(=N\NC2=CC=C(C=C2)NC)/C(=O)C=C1 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