9570225 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 8 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 1 2 2 3 4 4 4 5 6 6 6 7 7 8 9 9 10 10 11 11 12 13 13 14 15 16 16 17 17 18 19 20 20 21 22 22 22 23 23 23 15 22 19 23 12 5 9 29 8 7 8 10 11 13 12 15 16 17 24 14 25 14 18 26 27 20 19 28 18 30 31 21 21 32 33 34 35 36 37 38 39 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 5 -1 4 8 6 12 1 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 2.866 6.3301 3.732 4.5981 5.4641 6.3301 6.3301 5.4641 4.5981 7.2241 5.4641 4.5981 7.2241 4.5981 3.732 5.4641 8.1301 8.1301 5.4641 3.732 4.5981 2 6.3301 7.2169 5.4641 7.2169 4.0611 6.001 4.0611 8.6659 8.6659 3.1951 4.5981 1.69 1.4631 2.31 5.7101 6.3301 6.9501 -0.7673 -2.7673 1.7327 0.2327 0.7327 2.2327 3.2327 1.7327 -0.7673 1.698 3.7327 2.2327 3.7673 3.2327 -1.2673 -1.2673 2.2118 3.2535 -2.2673 -2.2673 -2.7673 -1.2673 -3.7673 1.078 4.3527 4.3873 3.5427 -0.9573 0.5427 1.8998 3.5656 -2.5773 -3.3873 -0.7304 -1.5773 -1.8043 -3.7673 -4.3873 -3.7673 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 9 9 10 13 15 16 17 19 20 7 10 13 15 16 17 18 20 19 18 21 21 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 489 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980232C680620400A803A4724000920C00202200188801276CD80E26B284B59B81302066D81908E987D8D8818E81000002001010000200000400202000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>Z</I>)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,19H,1-2H3/b20-18- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ULLJIFAIUSUJBP-ZZEZOPTASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=C(C=C1)OC)NN=C2C(=O)C=CC3=CC=CC=C32 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=C(C=C1)OC)N/N=C/2\C(=O)C=CC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.11609238 23 0 0 0 1 1 0 0 1 -1