CID 18961579

C28H16Cl4O8Pb-4 — CID 18961579

IUPAC—
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Pb]
InChIInChI=1S/4C7H5ClO2.Pb/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/p-4
InChIKeyWBHHYEGFFXXKSC-UHFFFAOYSA-J
MW829.44 g/mol
LogP2.43
Rot. Bonds4

About CID 18961579

CID 18961579 (PubChem CID 18961579) has the molecular formula C28H16Cl4O8Pb-4 and a molecular weight of 829.44 g/mol.

Molecular Properties

Compound NameCID 18961579
PubChem CID18961579
Molecular FormulaC28H16Cl4O8Pb-4
Molecular Weight829.44 g/mol
Exact Mass827.94
IUPAC Name—
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Pb]
InChIInChI=1S/4C7H5ClO2.Pb/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/p-4
InChIKeyWBHHYEGFFXXKSC-UHFFFAOYSA-J
XLogP2.43
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500829.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 18961579?
The IUPAC name of CID 18961579 (CID 18961579) is not available.
What is the SMILES notation for CID 18961579?
The canonical SMILES for CID 18961579 is O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Pb].
What is the InChIKey of CID 18961579?
The InChIKey is WBHHYEGFFXXKSC-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.Pb/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/p-4.
What are the key properties of CID 18961579?
CID 18961579 has a molecular weight of 829.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18961579 is sourced from PubChem (CID 18961579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).