5720319 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 17 8 8 8 7 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 3 -1 7 1 1 2 3 4 5 5 5 6 7 8 8 8 9 9 10 11 11 12 12 13 13 14 15 16 16 17 17 18 19 20 20 21 21 22 23 19 14 7 7 6 16 30 10 21 9 10 11 12 13 14 17 24 15 25 18 26 15 27 19 20 18 28 29 22 23 31 22 23 32 33 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 6 -1 5 10 8 14 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 4.5981 2 2 3.732 2.866 3.732 2.866 4.5981 4.5981 3.732 5.492 3.732 5.492 2.866 2.866 2.866 6.3981 6.3981 3.732 2 2.866 3.732 2 5.4848 3.732 5.4848 2.3291 6.9338 6.9338 2.3291 1.4631 4.269 1.4631 -0.5173 1.9827 -4.0173 -4.0173 0.4827 0.9827 -3.5173 2.4827 3.4827 1.9827 1.948 3.9827 4.0173 2.4827 3.4827 -0.5173 2.4618 3.5035 -1.0173 -1.0173 -2.5173 -2.0173 -2.0173 1.328 4.6027 4.6373 3.7927 2.1498 3.8156 0.7927 -0.7073 -2.3273 -2.3273 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 11 13 16 16 17 19 20 21 21 9 11 13 17 18 19 20 18 22 23 22 23 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 543 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000040000000000000000000000000000000000306080000000000000814000001E021C0000000C0E81982030C080724000A903A47243009204002007003888012066DA0820B281979180200060980008C9871888808E80008000021000100001000004200020000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2-chloro-4-nitro-phenyl)hydrazono]naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>Z</I>)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2-chloranyl-4-nitro-phenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2-chloro-4-nitro-phenyl)hydrazono]naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,18H/b19-16- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WJJZURXPOSMHKT-MNDPQUGUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.0410689 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H10ClN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.72 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C=C(C=C3)[N+](=O)[O-])Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=C(C=C(C=C3)[N+](=O)[O-])Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.0410689 23 0 0 0 1 1 0 0 1 -1