22764821 1 2 3 4 81 7 7 7 1 1 2 1 3 -1 4 -1 2 2 3 4 2 2 1 5 255 1 2 3 4 4.5981 2.866 2 3.732 0 0 -0.5 0.5 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 15.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371000300000000000000000000800000000000000000000000000000000000000000000000000800000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thallium(1+);azide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/N3.Tl/c1-3-2;/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GMUSFHMEMWCQIE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.98365 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 N3Tl Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.40 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 [N-]=[N+]=[N-].[Tl+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 [N-]=[N+]=[N-].[Tl+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.98365 4 0 0 0 0 0 0 0 2 -1