439210 1 2 3 4 5 6 7 8 9 10 11 12 13 26 7 7 7 7 7 7 6 6 6 6 6 6 1 3 8 -1 9 -1 10 -1 11 -1 12 -1 13 -1 1 1 1 1 1 1 2 3 4 5 6 7 8 9 10 11 12 13 8 9 10 11 12 13 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 3.732 5.4641 2 2 3.732 3.732 5.4641 4.5981 2.866 2.866 3.732 3.732 4.5981 0 1 -1 1 -2 2 -1 0.5 -0.5 0.5 -1 1 -0.5 -3 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 00000371006380000000002000000000000000000000000000000000000000000000000000000004000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ferric;hexacyanide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);hexacyanide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);hexacyanide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);hexacyanide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ferric;hexacyanide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/6CN.Fe/c6*1-2;/q6*-1;+3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 YAGKRVSRTSUGEY-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 211.953382 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6FeN6-3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 211.9494 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[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.[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 2012.11.26 211.953382 13 0 0 0 0 0 0 0 7 1