23925 1 26 1 5 255 1 2 0 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 iron IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 iron IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 iron IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 iron IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 iron InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/Fe InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 XEEYBQQBJWHFJM-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 55.934937 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 Fe Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 55.845 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 [Fe] SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 [Fe] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 55.934937 1 0 0 0 0 0 0 0 1 1