5354447 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 2 3 4 4 4 5 5 6 6 7 7 8 9 9 9 10 11 11 12 13 13 14 14 15 16 16 17 17 17 18 19 19 20 21 21 21 15 3 5 27 8 7 8 13 6 11 10 17 14 16 15 10 12 21 22 12 23 24 19 25 18 26 18 20 28 29 30 31 32 20 33 37 34 35 36 2 1 1 1 2 1 1 2 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 -1 2 8 4 15 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 2.866 3.732 4.5981 5.4641 3.732 2.866 5.4641 4.5981 3.732 2.866 4.5981 4.5981 6.358 4.5981 3.732 6.358 2 3.732 7.2641 7.2641 3.732 2.3291 5.135 5.135 6.3509 4.5981 3.1951 6.3509 2.31 1.4631 1.69 3.1951 7.7998 3.112 3.732 4.352 7.7998 1.7327 0.2327 0.7327 2.2327 -0.7673 -1.2673 3.2327 1.7327 -2.7673 -2.2673 -1.2673 -2.2673 1.698 3.7327 2.2327 3.7673 -0.7673 3.2327 2.2118 3.2535 -3.7673 -2.5773 -0.9573 -2.5773 1.078 4.3527 0.5427 4.3873 -0.2304 -0.4573 -1.3043 3.5427 1.8998 -3.7673 -4.3873 -3.7673 3.5656 1 8 8 8 8 8 8 8 8 8 8 8 8 3 4 4 5 5 6 7 9 9 11 13 16 19 8 7 13 6 11 10 16 10 12 12 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 454 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980032C080620000A803A47240009204002002001888012064D80820B280959180200060980008C9871888C08E88000200001200001000040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazinylidene]-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YPXOPAFVVHXQDP-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(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)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