59883501 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 8 7 7 7 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 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 11 12 13 14 14 14 15 16 16 17 17 18 18 19 19 20 21 12 3 8 16 30 19 35 36 6 7 8 9 10 11 14 12 13 22 15 23 13 24 15 25 26 27 28 29 17 18 20 31 21 32 20 21 33 34 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 -1 3 8 5 12 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 2 3.732 2.866 2.866 4.5981 4.5981 5.492 3.732 5.492 3.732 6.3981 2.866 6.3981 5.4804 2.866 2.866 2 3.732 2.866 2 3.732 5.4848 3.732 6.9338 6.9338 4.8605 5.4733 6.1004 2.3291 2.3291 1.4631 4.269 1.4631 4.269 2.3291 3.403 1.8877 0.8877 0.3877 -3.6123 2.3877 3.3877 1.853 1.8877 3.9223 3.8877 2.3668 2.3877 3.4085 0.8531 3.3877 -0.6123 -1.1123 -1.1123 -2.6123 -2.1123 -2.1123 4.5423 4.5077 2.0548 3.7206 0.8602 0.2331 0.8459 3.6977 0.6977 -0.8023 -0.8023 -2.4223 -2.4223 -3.9223 -3.9223 1 8 8 8 8 8 8 8 8 8 8 8 8 2 5 5 6 7 9 11 16 16 17 18 19 19 8 6 7 9 11 13 13 17 18 20 21 20 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 449 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 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002002001888012064D808203280959180200060980008C9871888C08E80008200001000000001040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazono]-8-methyl-naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazinylidene]-8-methyl-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazinylidene]-8-methylnaphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazinylidene]-8-methylnaphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazinylidene]-8-methyl-naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(4-aminophenyl)hydrazono]-8-methyl-naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O/c1-11-3-2-4-12-5-10-15(21)17(16(11)12)20-19-14-8-6-13(18)7-9-14/h2-10,19H,18H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FFWAIBALEOFSNQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C(=CC=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C(=CC=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)N 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 2021.05.07 277.121512110 21 0 0 0 1 0 1 0 1 -1