70674911 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 26 8 8 8 8 8 8 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 -1 9 -1 8 5 9 5 2 2 3 3 4 4 5 5 6 6 7 7 10 11 12 13 14 15 16 17 18 19 20 21 1 1 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 20 21 0.866 0.866 4.269 4.269 4.269 4.269 7.3429 1.732 0 1.403 0.3291 4.8059 3.732 4.8059 3.732 4.8059 3.732 4.8059 3.732 7.8798 6.8059 2.5 5 0 2.5 5 7.5 3.75 3 3 5.31 5.31 0.31 0.31 2.81 2.81 5.31 5.31 7.81 7.81 4.06 4.06 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C30038000000002000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2B.Fe.6H2O/h;;;6*1H2/q2*-1;+2;;;;;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UBSUZOQAMCZVCQ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 186.016934 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 B2FeH12O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.56 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [B-].[B-].O.O.O.O.O.O.[Fe+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [B-].[B-].O.O.O.O.O.O.[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 186.016934 9 0 0 0 0 0 0 0 9 -1