26250 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 26 19 19 19 7 7 7 7 7 7 6 6 6 6 6 6 1 3 2 1 3 1 4 1 11 -1 12 -1 13 -1 14 -1 15 -1 16 -1 1 1 1 1 1 1 5 6 7 8 9 10 11 12 13 14 15 16 11 12 13 14 15 16 6 6 6 6 6 6 3 3 3 3 3 3 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 3.8508 5.5829 2 2.9848 4.7169 2.9848 2 3.8508 3.8508 5.5829 4.7169 2.9848 2.9848 3.8508 3.8508 4.7169 0 0 -0.6736 1.5 1.5 -1.5 0.6737 -2 2 -1 0.5 -0.5 0.5 -1 1 -0.5 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 127 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 12 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 00000371006380000060002000000000000000000000000000000000000000000000000000000004000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ferric;tripotassium;hexacyanide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 tripotassium;iron(3+);hexacyanide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 tripotassium;iron(3+);hexacyanide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 tripotassium;iron(3+);hexacyanide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ferric;tripotassium;hexacyanide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q6*-1;+3;3*+1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BYGOPQKDHGXNCD-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 328.844502 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6FeK3N6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 329.2443 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 143 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 328.844502 16 0 0 0 0 0 0 0 10 1