123280 1 2 3 57 6 6 2 -1 3 2 1 2 2 3 6 3 1 5 255 1 2 3 2 2.866 3.732 -0.5 0 0.5 -1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 10.8 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 00000371004000000000000000000000100000000000000000000000000000000000000000000008000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2.La/c1-2;/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZKEYULQFFYBZBG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.906363 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2La- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.93 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#[C].[La] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#[C].[La] 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 2021.05.07 162.906363 3 0 0 0 0 0 0 0 2 -1