nickel;sulfuric acid;zirconium

H2NiO4SZr — CID 173349442

IUPACnickel;sulfuric acid;zirconium
SMILESO=S(=O)(O)O.[Ni].[Zr]
InChIInChI=1S/Ni.H2O4S.Zr/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyJSWYHNLRCVQSSX-UHFFFAOYSA-N
MW248.00 g/mol
LogP-0.66
Rot. Bonds

About nickel;sulfuric acid;zirconium

nickel;sulfuric acid;zirconium (PubChem CID 173349442) has the molecular formula H2NiO4SZr and a molecular weight of 248.00 g/mol. Its IUPAC name is nickel;sulfuric acid;zirconium.

Molecular Properties

Compound Namenickel;sulfuric acid;zirconium
PubChem CID173349442
Molecular FormulaH2NiO4SZr
Molecular Weight248.00 g/mol
Exact Mass245.81
IUPAC Namenickel;sulfuric acid;zirconium
SMILESO=S(=O)(O)O.[Ni].[Zr]
InChIInChI=1S/Ni.H2O4S.Zr/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyJSWYHNLRCVQSSX-UHFFFAOYSA-N
XLogP-0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.00
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel;sulfuric acid;zirconium?
The IUPAC name of nickel;sulfuric acid;zirconium (CID 173349442) is nickel;sulfuric acid;zirconium.
What is the SMILES notation for nickel;sulfuric acid;zirconium?
The canonical SMILES for nickel;sulfuric acid;zirconium is O=S(=O)(O)O.[Ni].[Zr].
What is the InChIKey of nickel;sulfuric acid;zirconium?
The InChIKey is JSWYHNLRCVQSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/Ni.H2O4S.Zr/c;1-5(2,3)4;/h;(H2,1,2,3,4);.
What are the key properties of nickel;sulfuric acid;zirconium?
nickel;sulfuric acid;zirconium has a molecular weight of 248.00 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;sulfuric acid;zirconium is sourced from PubChem (CID 173349442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).