59976640 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 38 39 40 41 42 8 7 7 7 6 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 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 8 9 10 12 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 20 21 22 23 23 23 10 4 11 12 33 34 17 35 6 7 9 10 12 13 15 9 11 16 24 11 14 14 25 26 27 28 29 30 31 32 19 20 21 22 23 21 36 22 37 38 39 40 41 42 2 1 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 -1 4 11 8 10 3 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 38 39 40 41 42 8.0622 6.3301 9.8106 5.4641 8.9282 8.9282 9.8222 7.1962 8.0622 8.0622 7.1962 9.8222 10.7282 10.7282 9.8106 6.3301 4.5981 2.866 3.732 4.5981 2.866 3.732 2 8.0622 11.2639 11.2639 10.4305 9.8034 9.1906 6.6401 5.7932 6.0201 10.3439 9.2701 5.4641 3.732 5.135 2.3291 3.732 1.69 1.4631 2.31 -1.7673 -0.7673 -1.8019 -0.2673 0.7327 -0.2673 1.2674 0.7327 1.2327 -0.7673 -0.2673 -0.802 0.7535 -0.2881 2.2673 1.2327 -0.7673 -1.7673 -0.2673 -1.7673 -0.7673 -2.2673 -2.2673 1.8527 1.0656 -0.6002 2.2745 2.8873 2.2601 1.7696 1.5427 0.6958 -2.1181 -2.1057 0.3527 0.3527 -2.0773 -0.4573 -2.8873 -1.7304 -2.5773 -2.8042 1 8 8 8 8 8 8 8 8 8 8 8 8 2 5 5 6 7 12 13 17 17 18 18 19 20 11 6 7 12 13 14 14 19 20 21 22 21 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 517 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002402001888012064D808203A80959180218060980008C9471888C08E88000240001200001000048000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 8-amino-3,5-dimethyl-2-(p-tolylhydrazono)naphthalen-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 8-amino-3,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]-1-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 8-amino-3,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 8-amino-3,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 8-azanyl-3,5-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 8-amino-3,5-dimethyl-2-(p-tolylhydrazono)naphthalen-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O/c1-11-4-7-14(8-5-11)21-22-18-13(3)10-15-12(2)6-9-16(20)17(15)19(18)23/h4-10,21H,20H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZZJOJGLOVUNQDE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)NN=C2C(=CC3=C(C=CC(=C3C2=O)N)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)NN=C2C(=CC3=C(C=CC(=C3C2=O)N)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.152812238 23 0 0 0 1 0 1 0 1 -1