71312404 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 27 2 28 2 29 2 30 2 31 2 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 8 7 9 10 11 20 12 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 2 1 1 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 2.5369 4.269 3.403 5.135 5.135 4.269 4.269 6.029 6.029 3.403 3.403 6.935 6.935 3.403 2.5369 4.269 2.5369 4.269 3.403 4.269 6.0218 6.0218 2.866 7.4708 7.4708 2.866 2 4.8059 2 4.8059 3.403 1.5427 0.5427 0.0427 2.0427 3.0427 1.5427 3.5427 1.508 3.5773 2.0427 3.0427 2.0218 3.0635 -0.9573 -1.4573 -1.4573 -2.4573 -2.4573 -2.9573 4.1627 0.888 4.1973 3.3527 1.7098 3.3756 0.3527 -1.1473 -1.1473 -2.7673 -2.7673 -3.5773 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 8 9 12 14 14 15 16 17 18 5 8 9 12 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2012.11.26 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-[(2,3,4,5,6-pentadeuteriophenyl)hydrazono]naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>Z</I>)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazono]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-/i1D,2D,3D,7D,8D InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZONYAPYTDIVJGG-RMKIHZJYSA-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 2021.05.07 253.126346740 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.31 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 [2H]C1=C(C(=C(C(=C1[2H])[2H])N/N=C/2\C(=O)C=CC3=CC=CC=C32)[2H])[2H] 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 2021.05.07 253.126346740 19 0 0 0 1 1 0 5 1 -1