9567803 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 8 8 9 10 11 11 11 12 12 12 13 13 14 15 15 16 16 17 17 18 14 5 11 12 4 6 29 13 7 8 9 10 9 19 10 20 21 22 23 24 25 26 27 28 14 15 16 17 30 18 31 18 32 33 2 1 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 4 -1 3 13 14 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 5.4641 2.866 2.866 3.732 2.866 2.866 3.732 2 3.732 2 2 3.732 3.732 4.5981 2.866 4.5981 2.866 3.732 4.269 1.4631 4.269 1.4631 1.69 1.4631 2.31 3.422 4.269 4.042 2.3291 2.3291 5.135 2.3291 3.732 2 -3.5 0.5 1 -2.5 -0.5 -2 -2 -1 -1 -4 -4 2 2.5 2.5 3.5 3.5 4 -2.31 -2.31 -0.69 -0.69 -3.4631 -4.31 -4.5369 -4.5369 -4.31 -3.4631 0.81 2.19 3.81 3.81 4.62 8 8 8 8 8 8 5 5 6 6 7 8 7 8 9 10 9 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 388 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 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 00000371C0732000000000000000000000000000000000000000304000000000000000010000001E0018000000080C81900432C083620000A801A47240009204002102001888013864D8082022C0919184200860980048C9871000000000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-6-[[4-(dimethylamino)phenyl]hydrazono]cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-6-[[4-(dimethylamino)phenyl]hydrazinylidene]-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6<I>E</I>)-6-[[4-(dimethylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-6-[[4-(dimethylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-6-[[4-(dimethylamino)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-6-[[4-(dimethylamino)phenyl]hydrazono]cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18/h3-10,15H,1-2H3/b16-13+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BJBNPTPFBHEPOL-DTQAZKPQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 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 CN(C)C1=CC=C(C=C1)NN=C2C=CC=CC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=CC=C(C=C1)N/N=C/2\C=CC=CC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.7 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