6336903 1 2 3 4 5 6 7 56 5 5 5 5 5 5 1 3 2 4 3 4 4 4 5 4 6 4 7 4 1 5 255 1 2 3 4 5 6 7 5 0 0 2.5 2.5 2.5 0 2.5 0 2.5 0 2.5 5 5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371038000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/6B.Ba InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DBNPLCUZNLSUCT-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.964710 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 B6Ba Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [B].[B].[B].[B].[B].[B].[Ba] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [B].[B].[B].[B].[B].[B].[Ba] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 203.961078 7 0 0 0 0 0 0 0 7 -1