MolDB6 demo: details for selected entry

calcium;dichlorate (23182)
hit structure

FormulaH4CaCl2O6
MW211.01
InChIKeyYALMXYPQBUJUME-UHFFFAOYSA-L
pubchem_compound_cid24978
pubchem_compound_canonicalized1
pubchem_cactvs_complexity37
pubchem_cactvs_hbond_acceptor6
pubchem_cactvs_hbond_donor0
pubchem_cactvs_rotatable_bond0
pubchem_cactvs_subskeysAAADcQAAOAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
pubchem_iupac_openeye_namecalcium;dichlorate
pubchem_iupac_cas_namecalcium;dichlorate
pubchem_iupac_systematic_namecalcium;dichlorate
pubchem_iupac_traditional_namecalcium;dichlorate
pubchem_iupac_inchiInChI=1S/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
pubchem_iupac_inchikeyYALMXYPQBUJUME-UHFFFAOYSA-L
pubchem_xlogp3_aa0
pubchem_exact_mass205.869784
pubchem_molecular_formulaCaCl2O6
pubchem_molecular_weight206.9804
pubchem_openeye_can_smiles[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2]
pubchem_openeye_iso_smiles[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2]
pubchem_cactvs_tpsa114
pubchem_monoisotopic_weight205.869784
pubchem_total_charge0
pubchem_heavy_atom_count9
pubchem_atom_def_stereo_count0
pubchem_atom_udef_stereo_count0
pubchem_bond_def_stereo_count0
pubchem_bond_udef_stereo_count0
pubchem_isotopic_atom_count0
pubchem_component_count3
pubchem_cactvs_tauto_count1
pubchem_coordinate_type1
pubchem_xlogp30