61775 1 2 3 4 5 6 40 14 8 8 8 8 1 4 3 -1 4 -1 5 -1 6 -1 2 2 2 2 3 4 5 6 1 1 1 1 1 5 255 1 2 3 4 5 6 3 4 3 4 2 3 0 1 1 0 0 -1 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 19.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000038080000000001000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);silicate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);silicate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);silicate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);silicate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 zirconium(4+);orthosilicate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 GFQYVLUOOAAOGM-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 181.861289 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 O4SiZr Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 183.3071 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Si]([O-])([O-])[O-].[Zr+4] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Si]([O-])([O-])[O-].[Zr+4] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 92.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 181.861289 6 0 0 0 0 0 0 0 2 1