59895583 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 8 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 2 2 2 3 4 4 4 5 5 6 7 7 7 8 10 10 10 11 11 12 12 13 13 14 14 15 16 16 17 18 18 18 19 19 20 21 21 21 22 22 22 9 3 11 29 6 5 6 13 8 14 9 8 9 18 23 12 15 21 15 17 16 22 19 24 20 25 26 17 27 28 30 31 32 20 33 34 35 36 37 38 39 40 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 -1 2 6 4 9 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 2.866 3.732 4.5981 5.4641 5.4641 4.5981 3.732 4.5981 3.732 2.866 3.732 3.732 6.358 6.358 2.866 4.5981 4.5981 2.866 7.2641 7.2641 2 3.732 4.5981 6.3509 6.3509 2.3291 5.135 5.135 3.1951 3.176 2.3291 2.556 7.7998 7.7998 1.69 1.4631 2.31 3.112 3.732 4.352 1.7327 0.2327 0.7327 2.2327 3.2327 1.7327 3.2327 3.7327 2.2327 -2.2673 -0.7673 -2.7673 1.698 3.7673 -1.2673 -2.2673 -1.2673 3.7327 2.2118 3.2535 -2.7673 -3.7673 4.3527 1.078 4.3873 -0.9573 -2.5773 -0.9573 0.5427 4.2696 4.0427 3.1957 1.8998 3.5656 -2.2304 -3.0773 -3.3043 -3.7673 -4.3873 -3.7673 1 8 8 8 8 8 8 8 8 8 8 8 8 3 4 4 5 10 10 11 11 12 13 14 16 19 6 5 13 14 12 15 15 17 16 19 20 17 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 494 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002002001888012064D80820B280959180200060980008C9871888C08E88000040001000001000008000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazono]-3-methyl-naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazinylidene]-3-methyl-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazinylidene]-3-methylnaphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazinylidene]-3-methylnaphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazinylidene]-3-methyl-naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(3,4-dimethylphenyl)hydrazono]-3-methyl-naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N2O/c1-12-8-9-16(11-13(12)2)20-21-18-17-7-5-4-6-15(17)10-14(3)19(18)22/h4-11,20H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BBKXNQJRHXJGSI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.141913202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C)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 2021.05.07 290.141913202 22 0 0 0 1 0 1 0 1 -1