16211684 1 2 3 4 5 6 7 8 9 10 11 12 78 19 17 17 17 8 6 6 1 1 1 1 7 -1 8 -1 2 2 1 1 1 1 1 6 6 7 7 8 3 4 5 7 8 11 12 8 9 10 1 1 1 6 6 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.5369 0 3.5369 4.1247 2.9492 3.5369 3.0369 4.0369 2.5 4.5739 4.0739 3 1 2.088 0 0.191 0.191 4.176 1.866 1.866 2.176 2.176 4.486 4.486 -2 Compound Canonicalized 5 2007.07.09 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 20 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 1 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 00000371804020000640000000000004000010000000000000000000000000000000000000000018000008000000008000000000000000008000000200000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H2.3ClH.K.H2O.Pt/c1-2;;;;;;/h1-2H;3*1H;;1H2;/q-2;;;;;;+3/p-3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CYKVZFKPBODQDP-UHFFFAOYSA-K Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.861274 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4Cl3KOPt-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [CH-]=[CH-].O.Cl[Pt](Cl)Cl.[K] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [CH-]=[CH-].O.Cl[Pt](Cl)Cl.[K] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.861274 8 0 0 0 0 0 0 0 4 -1