6336859 1 2 3 12 8 5 1 2 2 -2 3 4 1 5 255 1 2 3 1 0 0.25 2.5 2.5 0 0 Compound Canonicalized 5 2019.01.04 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 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371020020000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/B.Mg.O/q;+2;-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YZUWTDQUEUJLAR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 50.9892615 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 BMgO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 51.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [B].[O-2].[Mg+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [B].[O-2].[Mg+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 50.9892615 3 0 0 0 0 0 0 0 3 -1