copper;quinoline;sulfuric acid

C9H9CuNO4S — CID 174956434

IUPACcopper;quinoline;sulfuric acid
SMILESO=S(=O)(O)O.[Cu].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.Cu.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;;1-5(2,3)4/h1-7H;;(H2,1,2,3,4)
InChIKeyQFXSYKAWBQXRGX-UHFFFAOYSA-N
MW290.79 g/mol
LogP1.58
Rot. Bonds

About copper;quinoline;sulfuric acid

copper;quinoline;sulfuric acid (PubChem CID 174956434) has the molecular formula C9H9CuNO4S and a molecular weight of 290.79 g/mol. Its IUPAC name is copper;quinoline;sulfuric acid.

Molecular Properties

Compound Namecopper;quinoline;sulfuric acid
PubChem CID174956434
Molecular FormulaC9H9CuNO4S
Molecular Weight290.79 g/mol
Exact Mass289.95
IUPAC Namecopper;quinoline;sulfuric acid
SMILESO=S(=O)(O)O.[Cu].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.Cu.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;;1-5(2,3)4/h1-7H;;(H2,1,2,3,4)
InChIKeyQFXSYKAWBQXRGX-UHFFFAOYSA-N
XLogP1.58
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 51.58
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;quinoline;sulfuric acid?
The IUPAC name of copper;quinoline;sulfuric acid (CID 174956434) is copper;quinoline;sulfuric acid.
What is the SMILES notation for copper;quinoline;sulfuric acid?
The canonical SMILES for copper;quinoline;sulfuric acid is O=S(=O)(O)O.[Cu].c1ccc2ncccc2c1.
What is the InChIKey of copper;quinoline;sulfuric acid?
The InChIKey is QFXSYKAWBQXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.Cu.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;;1-5(2,3)4/h1-7H;;(H2,1,2,3,4).
What are the key properties of copper;quinoline;sulfuric acid?
copper;quinoline;sulfuric acid has a molecular weight of 290.79 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;quinoline;sulfuric acid is sourced from PubChem (CID 174956434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).