59974259 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 3 3 4 4 4 5 5 6 6 6 7 7 8 9 10 10 10 11 12 14 14 14 15 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 12 3 13 17 35 5 8 11 9 12 7 8 14 9 15 23 24 11 13 16 25 13 26 27 28 29 30 31 32 33 34 18 19 20 36 21 37 22 38 22 39 40 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 -1 3 13 10 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 37 38 39 40 7.1962 5.4641 4.5981 8.0622 8.0622 9.8622 9.8622 8.9561 8.9561 6.3301 7.1962 7.1962 6.3301 10.7263 10.7263 5.4641 3.732 2.866 3.732 2 2.866 2 8.949 8.949 7.1962 11.0383 11.262 10.4142 10.4142 11.262 11.0383 5.7741 4.9272 5.1541 4.5981 2.866 4.269 1.4631 2.866 1.4631 -1.2673 -0.2673 0.2327 1.2327 0.2327 1.2535 0.2119 1.7673 -0.302 1.2327 1.7327 -0.2673 0.2327 1.7568 -0.2915 1.7327 -0.2673 0.2327 -1.2673 -0.2673 -1.7673 -1.2673 2.3873 -0.922 2.3527 1.2211 2.0689 2.2926 -0.8272 -0.6035 0.2443 2.2696 2.0427 1.1957 0.8527 0.8527 -1.5773 0.0427 -2.3873 -1.5773 1 8 8 8 8 8 8 8 8 8 8 8 8 2 4 4 5 6 6 7 17 17 18 19 20 21 13 5 8 9 7 8 9 18 19 20 21 22 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 488 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002402001888012064D808203280959180210060980008C9871888C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazono)naphthalen-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazinylidene)-1-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6,7-trimethyl-2-(phenylhydrazono)naphthalen-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N2O/c1-12-9-15-10-14(3)18(19(22)17(15)11-13(12)2)21-20-16-7-5-4-6-8-16/h4-11,20H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UEJYLQZIPYBLOV-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=CC2=C(C=C1C)C(=O)C(=NNC3=CC=CC=C3)C(=C2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1C)C(=O)C(=NNC3=CC=CC=C3)C(=C2)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