5858445 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 8 7 7 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 2 2 3 3 4 4 4 5 5 6 7 7 8 8 9 9 10 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 10 3 6 14 26 5 6 7 8 9 10 12 20 11 21 13 22 11 23 13 24 25 15 16 17 27 18 28 19 29 19 30 31 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 2 -1 3 6 4 10 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 2 3.732 2.866 4.5981 4.5981 3.732 5.492 3.732 5.492 2.866 2.866 6.3981 6.3981 2.866 3.732 2 3.732 2 2.866 5.4848 3.732 5.4848 2.3291 6.9338 6.9338 2.3291 4.269 1.4631 4.269 1.4631 2.866 1.2327 0.2327 -0.2673 1.7327 2.7327 1.2327 1.198 3.2327 3.2673 1.7327 2.7327 1.7118 2.7535 -1.2673 -1.7673 -1.7673 -2.7673 -2.7673 -3.2673 0.578 3.8527 3.8873 3.0427 1.3998 3.0656 0.0427 -1.4573 -1.4573 -3.0773 -3.0773 -3.8873 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 7 9 12 14 14 15 16 17 18 5 7 9 12 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 394 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 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980030C080620000A803A47240009204002002001888012064D80820B280959180200060980008C9871888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-(phenylhydrazono)naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-(phenylhydrazinylidene)-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>Z</I>)-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-(phenylhydrazono)naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZONYAPYTDIVJGG-VLGSPTGOSA-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 2021.05.07 248.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)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 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.094963011 19 0 0 0 1 1 0 0 1 -1