bis(8-hydroxyquinoline-5-sulfonic acid);zinc

C18H14N2O8S2Zn — CID 4019772

IUPACbis(8-hydroxyquinoline-5-sulfonic acid);zinc
SMILESO=S(=O)(O)c1ccc(O)c2ncccc12.O=S(=O)(O)c1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/2C9H7NO4S.Zn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);
InChIKeyRQTRQRSIOSXXRO-UHFFFAOYSA-N
MW515.84 g/mol
LogP2.37
Rot. Bonds2

About bis(8-hydroxyquinoline-5-sulfonic acid);zinc

bis(8-hydroxyquinoline-5-sulfonic acid);zinc (PubChem CID 4019772) has the molecular formula C18H14N2O8S2Zn and a molecular weight of 515.84 g/mol. Its IUPAC name is bis(8-hydroxyquinoline-5-sulfonic acid);zinc.

Molecular Properties

Compound Namebis(8-hydroxyquinoline-5-sulfonic acid);zinc
PubChem CID4019772
Molecular FormulaC18H14N2O8S2Zn
Molecular Weight515.84 g/mol
Exact Mass513.95
IUPAC Namebis(8-hydroxyquinoline-5-sulfonic acid);zinc
SMILESO=S(=O)(O)c1ccc(O)c2ncccc12.O=S(=O)(O)c1ccc(O)c2ncccc12.[Zn]
InChIInChI=1S/2C9H7NO4S.Zn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);
InChIKeyRQTRQRSIOSXXRO-UHFFFAOYSA-N
XLogP2.37
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.84
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(8-hydroxyquinoline-5-sulfonic acid);zinc?
The IUPAC name of bis(8-hydroxyquinoline-5-sulfonic acid);zinc (CID 4019772) is bis(8-hydroxyquinoline-5-sulfonic acid);zinc.
What is the SMILES notation for bis(8-hydroxyquinoline-5-sulfonic acid);zinc?
The canonical SMILES for bis(8-hydroxyquinoline-5-sulfonic acid);zinc is O=S(=O)(O)c1ccc(O)c2ncccc12.O=S(=O)(O)c1ccc(O)c2ncccc12.[Zn].
What is the InChIKey of bis(8-hydroxyquinoline-5-sulfonic acid);zinc?
The InChIKey is RQTRQRSIOSXXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO4S.Zn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);.
What are the key properties of bis(8-hydroxyquinoline-5-sulfonic acid);zinc?
bis(8-hydroxyquinoline-5-sulfonic acid);zinc has a molecular weight of 515.84 g/mol, XLogP of 2.37, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-hydroxyquinoline-5-sulfonic acid);zinc is sourced from PubChem (CID 4019772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).