6383318 1 2 3 4 5 52 52 52 49 49 1 3 4 2 5 2 1 1 2 3 4 5 4 5 6 6 2 2 1 5 255 1 2 3 4 5 3.732 5.4641 2 4.5981 2.866 -0.25 -0.25 -0.25 0.25 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6.9 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 00000371000000000000000000012000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2In.3Te InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TWZRXWXUSGBTAD-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 617.524664 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 In2Te3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 612.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [In]=[Te].[In]=[Te].[Te] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [In]=[Te].[In]=[Te].[Te] 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 2021.10.14 619.5264258 5 0 0 0 0 0 0 0 3 -1