CID 174257249

HFeO3SZr- — CID 174257249

IUPAC—
SMILESO=[S-](=O)O.[Fe].[Zr]
InChIInChI=1S/Fe.HO3S.Zr/c;1-4(2)3;/h;(H,1,2,3);/q;-1;
InChIKeyKZJDEPUOWCYWBY-UHFFFAOYSA-N
MW228.14 g/mol
LogP-0.24
Rot. Bonds

About CID 174257249

CID 174257249 (PubChem CID 174257249) has the molecular formula HFeO3SZr- and a molecular weight of 228.14 g/mol.

Molecular Properties

Compound NameCID 174257249
PubChem CID174257249
Molecular FormulaHFeO3SZr-
Molecular Weight228.14 g/mol
Exact Mass226.80
IUPAC Name—
SMILESO=[S-](=O)O.[Fe].[Zr]
InChIInChI=1S/Fe.HO3S.Zr/c;1-4(2)3;/h;(H,1,2,3);/q;-1;
InChIKeyKZJDEPUOWCYWBY-UHFFFAOYSA-N
XLogP-0.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174257249?
The IUPAC name of CID 174257249 (CID 174257249) is not available.
What is the SMILES notation for CID 174257249?
The canonical SMILES for CID 174257249 is O=[S-](=O)O.[Fe].[Zr].
What is the InChIKey of CID 174257249?
The InChIKey is KZJDEPUOWCYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.HO3S.Zr/c;1-4(2)3;/h;(H,1,2,3);/q;-1;.
What are the key properties of CID 174257249?
CID 174257249 has a molecular weight of 228.14 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174257249 is sourced from PubChem (CID 174257249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).