59952760 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 8 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 9 10 11 11 12 12 12 13 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 13 3 8 16 32 5 6 8 9 11 10 12 9 10 15 13 22 23 14 24 25 26 27 14 28 29 30 31 17 18 19 33 20 34 21 35 21 36 37 2 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 -1 3 8 4 13 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 2 3.732 2.866 4.5981 4.5981 5.492 6.3981 3.732 5.492 6.3981 3.732 5.4804 2.866 2.866 7.2622 2.866 2 3.732 2 3.732 2.866 5.4848 6.9338 3.732 4.8605 5.4733 6.1004 2.3291 7.5742 7.7979 6.9501 2.3291 1.4631 4.269 1.4631 4.269 2.866 1.2327 0.2327 -0.2673 1.7327 2.7327 1.198 2.7535 1.2327 3.2673 1.7118 3.2327 0.1981 1.7327 2.7327 3.2568 -1.2673 -1.7673 -1.7673 -2.7673 -2.7673 -3.2673 3.8873 1.3998 3.8527 0.2052 -0.4219 0.1909 3.0427 2.7211 3.5689 3.7926 0.0427 -1.4573 -1.4573 -3.0773 -3.0773 -3.8873 1 8 8 8 8 8 8 8 8 8 8 8 8 2 4 4 5 6 7 7 16 16 17 18 19 20 8 5 6 9 10 9 10 17 18 19 20 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 448 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002002001888012064D808203280959180200060980008C9871888C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazono)naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazinylidene)-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,8-dimethyl-1-(phenylhydrazono)naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16N2O/c1-12-10-13(2)17-14(11-12)8-9-16(21)18(17)20-19-15-6-4-3-5-7-15/h3-11,19H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XBHJYOFCEWOMMD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3)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 2021.05.07 276.126263138 21 0 0 0 1 0 1 0 1 -1