105054 1 2 3 53 53 53 1 -1 1 1 2 3 1 1 1 5 255 1 2 3 2.866 3.732 2 -0.25 0.25 0.25 -1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371000000000003000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 triiodide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/I3/c1-3-2/q-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WRTMQOHKMFDUKX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.7134 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 I3- Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.7134 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 I[I-]I SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 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 2021.10.14 380.7134 3 0 0 0 0 0 0 0 1 -1