oxonickel;sulfuric acid

H2NiO5S — CID 159786815

IUPACoxonickel;sulfuric acid
SMILESO=S(=O)(O)O.O=[Ni]
InChIInChI=1S/Ni.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyNIAZXXPEOWDLOF-UHFFFAOYSA-N
MW172.77 g/mol
LogP-0.77
Rot. Bonds

About oxonickel;sulfuric acid

oxonickel;sulfuric acid (PubChem CID 159786815) has the molecular formula H2NiO5S and a molecular weight of 172.77 g/mol. Its IUPAC name is oxonickel;sulfuric acid.

Molecular Properties

Compound Nameoxonickel;sulfuric acid
PubChem CID159786815
Molecular FormulaH2NiO5S
Molecular Weight172.77 g/mol
Exact Mass171.90
IUPAC Nameoxonickel;sulfuric acid
SMILESO=S(=O)(O)O.O=[Ni]
InChIInChI=1S/Ni.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyNIAZXXPEOWDLOF-UHFFFAOYSA-N
XLogP-0.77
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.77
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 oxonickel;sulfuric acid?
The IUPAC name of oxonickel;sulfuric acid (CID 159786815) is oxonickel;sulfuric acid.
What is the SMILES notation for oxonickel;sulfuric acid?
The canonical SMILES for oxonickel;sulfuric acid is O=S(=O)(O)O.O=[Ni].
What is the InChIKey of oxonickel;sulfuric acid?
The InChIKey is NIAZXXPEOWDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ni.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);.
What are the key properties of oxonickel;sulfuric acid?
oxonickel;sulfuric acid has a molecular weight of 172.77 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxonickel;sulfuric acid is sourced from PubChem (CID 159786815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).