161067 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 26 19 19 19 19 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 2 2 1 3 1 4 1 5 1 15 -1 16 -1 17 -1 18 -1 19 -1 20 -1 6 6 7 7 8 8 9 10 11 12 13 14 21 22 23 24 25 26 15 16 17 18 19 20 1 1 1 1 1 1 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 17 18 19 20 21 22 23 24 25 26 4.8059 3.9399 3.9399 3.9399 3.9399 0.5369 9.0749 12.1488 5.672 6.538 3.0739 5.672 5.672 5.672 4.8059 5.672 3.9399 4.8059 4.8059 4.8059 1.0739 0 9.6118 8.538 12.6857 11.6118 0 3 6 9 12 6.25 6.25 6.25 13 1 1 4 7 10 12.5 0.5 0.5 3.5 6.5 9.5 6.56 6.56 6.56 6.56 6.56 6.56 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 15 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718063B0000060002000000000000000000000000000000000000000000000000000000004000008000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;tetrapotassium;hexacyanide;trihydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetrapotassium;iron(2+);hexacyanide;trihydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetrapotassium;iron(2+);hexacyanide;trihydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetrapotassium;iron(2+);hexacyanide;trihydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tetrapotassium;iron(2+);hexacyanide;trihydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;tetrapotassium;hexacyanide;trihydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q6*-1;+2;4*+1;;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UTYXJYFJPBYDKY-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 421.839900 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H6FeK4N6O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 422.39 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 146 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 421.839900 20 0 0 0 0 0 0 0 14 -1