59959429 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 8 7 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 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 7 8 9 11 11 12 12 13 14 15 15 15 16 16 17 17 17 18 19 19 20 20 21 22 22 22 10 3 8 16 30 13 35 36 6 10 11 9 12 8 9 15 10 23 13 24 14 25 14 26 27 28 29 18 19 18 20 22 31 21 32 21 33 34 37 38 39 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 2 -1 3 8 7 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 8.0622 6.3301 5.4641 11.5923 8.9282 8.9282 7.1962 7.1962 8.0622 8.0622 9.8222 9.8222 10.7282 10.7282 6.3301 4.5981 2.866 3.732 4.5981 2.866 3.732 2 8.0622 9.815 9.815 11.2639 6.6401 5.7932 6.0201 5.4641 3.732 5.135 2.3291 3.732 12.1304 11.5899 2.31 1.4631 1.69 -1.2673 -0.2673 0.2327 -0.2915 0.2327 1.2327 1.2327 0.2327 1.7327 -0.2673 -0.302 1.7673 0.2119 1.2535 1.7327 -0.2673 -0.2673 0.2327 -1.2673 -1.2673 -1.7673 0.2327 2.3527 -0.922 2.3873 1.5656 2.2696 2.0427 1.1957 0.8527 0.8527 -1.5773 -1.5773 -2.3873 0.0164 -0.9115 0.7696 0.5427 -0.3043 1 8 8 8 8 8 8 8 8 8 8 8 8 2 5 5 6 11 12 13 16 16 17 17 19 20 8 6 11 12 13 14 14 18 19 18 20 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 497 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002402001888012064D808203280959180210060980008C9871C88C08E88000040001000001000008000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3-methyl-2-(m-tolylhydrazono)naphthalen-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3-methyl-2-[(3-methylphenyl)hydrazinylidene]-1-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3-methyl-2-[(3-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3-methyl-2-[(3-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-azanyl-3-methyl-2-[(3-methylphenyl)hydrazinylidene]naphthalen-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3-methyl-2-(m-tolylhydrazono)naphthalen-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17N3O/c1-11-4-3-5-15(8-11)20-21-17-12(2)9-13-6-7-14(19)10-16(13)18(17)22/h3-10,20H,19H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HMPQTEHTUGPYNP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.137162174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NN=C2C(=CC3=C(C2=O)C=C(C=C3)N)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NN=C2C(=CC3=C(C2=O)C=C(C=C3)N)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 2021.05.07 291.137162174 22 0 0 0 1 0 1 0 1 -1