1241177 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 40 41 42 43 44 8 8 7 7 7 7 7 7 6 6 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 3 4 4 5 6 7 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 3 11 4 12 5 15 6 16 7 8 19 20 10 11 13 12 14 29 30 31 32 17 33 18 34 19 21 20 22 18 35 36 23 24 25 37 26 38 27 39 28 40 27 41 28 42 43 44 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 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 40 41 42 43 44 6.4726 5.4476 6.1619 4.4691 6.7455 4.064 6.1619 3.0752 7.7618 7.0939 7.4511 6.1154 8.7403 7.4046 5.2157 3.732 9.0509 8.3831 5.2157 2.866 4.3497 3.732 4.3497 2 3.4837 2.866 3.4837 2 7.4717 8.0649 5.5891 6.3467 9.1543 6.9905 9.6576 8.5757 4.3497 4.269 4.3497 1.4631 2.9467 2.866 2.9467 1.4631 -0.8224 1.6168 -1.7729 1.4105 -2.5776 0.5028 -3.3824 0.6058 0.3344 1.0787 -0.6161 0.8725 0.5406 2.0292 -2.0776 2.0776 1.4911 2.2354 -3.0776 1.5776 -1.5776 3.0776 -3.5776 2.0776 -2.0776 3.5776 -3.0776 3.0776 -1.2358 -0.7035 0.5448 0.2972 0.0791 2.4907 1.619 2.8247 -0.9576 3.3876 -4.1976 1.7676 -1.7676 4.1976 -3.3876 3.3876 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 7 8 9 9 10 13 14 15 15 16 16 17 19 20 21 22 23 24 25 26 5 15 6 16 7 8 19 20 10 13 14 17 18 19 21 20 22 18 23 24 25 26 27 28 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 467 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB000000000000000000000000000000162C000003060C000000000005801FE00001E000C0000000C08A19E0230C0B0100000A20324624000820404201200389820307C980866A280919180300064C00108C807D0C0A00E80000000001000200000000000200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[[2-(1-benzotriazolyloxymethyl)phenyl]methoxy]benzotriazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(benzotriazol-1-yloxymethyl)benzyl]oxybenzotriazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H16N6O2/c1-2-8-16(14-28-26-20-12-6-4-10-18(20)22-24-26)15(7-1)13-27-25-19-11-5-3-9-17(19)21-23-25/h1-12H,13-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DQFWHEVJWDYBER-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.13347377 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H16N6O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)CON4C5=CC=CC=C5N=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)CON4C5=CC=CC=C5N=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.13347377 28 0 0 0 0 0 0 0 1 -1