82301 1 2 3 4 77 17 17 17 1 3 2 -1 3 -1 4 -1 1 5 255 1 2 3 4 2.866 3.732 2 2.866 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371000000000600000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 iridium(3+);trichloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/3ClH.Ir/h3*1H;/q;;;+3/p-3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DANYXEHCMQHDNX-UHFFFAOYSA-K Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.86948 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Cl3Ir Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.57 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Cl-].[Cl-].[Cl-].[Ir+3] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Cl-].[Cl-].[Cl-].[Ir+3] 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 2021.05.07 297.86948 4 0 0 0 0 0 0 0 4 -1