59950277 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 26 8 8 8 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 6 -1 7 -1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 8 8 8 9 9 9 2 3 6 7 10 14 11 15 10 11 8 12 9 13 11 16 17 10 18 19 6 6 6 6 1 1 1 1 2 2 1 1 1 1 1 1 1 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 3.3987 4.2077 2.5896 4.4865 2.3109 4.2077 2.5896 3.8987 2.8987 3.8987 2.8987 4.7973 2 4.7973 2 4.5051 3.8339 2.2922 2.9635 0 -0.5878 0.5878 -2.3479 2.3479 0.5878 -0.5878 1.5388 -1.5388 -1.5388 1.5388 0.3962 -0.3962 -0.3962 0.3962 1.6678 2.1554 -1.6678 -2.1554 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 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 4 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 00000371C0633800000000200000000000000000000162C00000000000000000000000000000001E00100800000000C180040008004002000800009008000000000000000000808000000200000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;carboxymethylazanide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carboxymethylazanide;iron(2+) IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carboxymethylazanide;iron(2+) IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carboxymethylazanide;iron(2+) IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-2-oxoethylazanide;iron(2+) IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;carboxymethylazanide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C2H4NO2.Fe/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q2*-1;+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UHXAZLCEUXKHGG-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.983342 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8FeN2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.96 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)[NH-].C(C(=O)O)[NH-].[Fe+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)[NH-].C(C(=O)O)[NH-].[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.983342 11 0 0 0 0 0 0 0 3 -1