CID 18961546

C28H16I4O8Pb-4 — CID 18961546

IUPAC—
SMILESO=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Pb]
InChIInChI=1S/4C7H5IO2.Pb/c4*8-6-3-1-5(2-4-6)7(9)10;/h4*1-4H,(H,9,10);/p-4
InChIKeySQEXWKPJBZSSGW-UHFFFAOYSA-J
MW1195.24 g/mol
LogP2.24
Rot. Bonds4

About CID 18961546

CID 18961546 (PubChem CID 18961546) has the molecular formula C28H16I4O8Pb-4 and a molecular weight of 1195.24 g/mol.

Molecular Properties

Compound NameCID 18961546
PubChem CID18961546
Molecular FormulaC28H16I4O8Pb-4
Molecular Weight1195.24 g/mol
Exact Mass1195.68
IUPAC Name—
SMILESO=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Pb]
InChIInChI=1S/4C7H5IO2.Pb/c4*8-6-3-1-5(2-4-6)7(9)10;/h4*1-4H,(H,9,10);/p-4
InChIKeySQEXWKPJBZSSGW-UHFFFAOYSA-J
XLogP2.24
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001195.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18961546?
The IUPAC name of CID 18961546 (CID 18961546) is not available.
What is the SMILES notation for CID 18961546?
The canonical SMILES for CID 18961546 is O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Pb].
What is the InChIKey of CID 18961546?
The InChIKey is SQEXWKPJBZSSGW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5IO2.Pb/c4*8-6-3-1-5(2-4-6)7(9)10;/h4*1-4H,(H,9,10);/p-4.
What are the key properties of CID 18961546?
CID 18961546 has a molecular weight of 1195.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18961546 is sourced from PubChem (CID 18961546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).