11389393 1 2 3 28 28 5 1 1 2 2 3 3 6 6 2 1 5 255 1 2 3 2 3 2.5 0.433 0.433 -0.433 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 2.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371020000000000000800000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/B.2Ni InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WRLJWIVBUPYRTE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 126.879988 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 BNi2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 128.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [B]=[Ni].[Ni] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [B]=[Ni].[Ni] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 126.879988 3 0 0 0 0 0 0 0 2 -1