83478 1 2 3 4 53 53 53 31 1 2 3 4 4 4 1 1 1 1 5 255 1 2 3 4 3.732 2 2.866 2.866 0.75 0.75 -0.75 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 8 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 00000371000000000003000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodogallane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodogallane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodogallane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodogallane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris(iodanyl)gallane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodogallane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Ga.3HI/h;3*1H/q+3;;;/p-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DWRNSCDYNYYYHT-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 449.6390 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 GaI3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 450.436 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Ga](I)(I)I SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [Ga](I)(I)I 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 2021.10.14 449.6390 4 0 0 0 0 0 0 0 1 -1