59928813 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 8 7 7 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 2 2 3 3 4 4 4 5 5 6 6 6 7 8 10 10 11 11 12 12 12 13 13 14 15 15 16 16 16 17 17 18 18 19 20 21 21 21 9 3 7 15 30 5 8 10 9 11 7 8 12 9 22 13 23 14 24 25 26 27 14 28 29 17 18 19 20 21 19 31 20 32 33 34 35 36 37 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 -1 3 7 9 6 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 34 35 36 37 8.0622 6.3301 5.4641 8.9282 8.9282 7.1962 7.1962 8.0622 8.0622 9.8222 9.8222 6.3301 10.7282 10.7282 4.5981 2.866 3.732 4.5981 2.866 3.732 2 8.0622 9.815 9.815 6.6401 5.7932 6.0201 11.2639 11.2639 5.4641 3.732 5.135 2.3291 3.732 1.69 1.4631 2.31 -1.2673 -0.2673 0.2327 1.2327 0.2327 1.2327 0.2327 1.7327 -0.2673 1.7673 -0.302 1.7327 1.2535 0.2119 -0.2673 -1.2673 0.2327 -1.2673 -0.2673 -1.7673 -1.7673 2.3527 2.3873 -0.922 2.2696 2.0427 1.1957 1.5656 -0.1002 0.8527 0.8527 -1.5773 0.0427 -2.3873 -1.2304 -2.0773 -2.3043 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 10 11 13 15 15 16 16 17 18 5 10 11 13 14 14 17 18 19 20 19 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 458 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002402001888012064D808203280959180210060980008C9871888C08E88000000001000001000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-3-methyl-2-(p-tolylhydrazono)naphthalen-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-3-methyl-2-[(4-methylphenyl)hydrazinylidene]-1-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>E</I>)-3-methyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-3-methyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-3-methyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-3-methyl-2-(p-tolylhydrazono)naphthalen-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16N2O/c1-12-7-9-15(10-8-12)19-20-17-13(2)11-14-5-3-4-6-16(14)18(17)21/h3-11,19H,1-2H3/b20-17+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CSDRYKXQWCIVQK-LVZFUZTISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)NN=C2C(=CC3=CC=CC=C3C2=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC=CC=C3C2=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.126263138 21 0 0 0 1 1 0 0 1 -1