CID 11251659

C28H16Cl8O8Pb — CID 11251659

IUPAC—
SMILESO=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Pb]
InChIInChI=1S/4C7H4Cl2O2.Pb/c4*8-4-2-1-3-5(9)6(4)7(10)11;/h4*1-3H,(H,10,11);
InChIKeyPEZNSNKNVNIFSL-UHFFFAOYSA-N
MW971.25 g/mol
LogP10.39
Rot. Bonds4

About CID 11251659

CID 11251659 (PubChem CID 11251659) has the molecular formula C28H16Cl8O8Pb and a molecular weight of 971.25 g/mol.

Molecular Properties

Compound NameCID 11251659
PubChem CID11251659
Molecular FormulaC28H16Cl8O8Pb
Molecular Weight971.25 g/mol
Exact Mass967.81
IUPAC Name—
SMILESO=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Pb]
InChIInChI=1S/4C7H4Cl2O2.Pb/c4*8-4-2-1-3-5(9)6(4)7(10)11;/h4*1-3H,(H,10,11);
InChIKeyPEZNSNKNVNIFSL-UHFFFAOYSA-N
XLogP10.39
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.25
LogP ≤ 510.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11251659?
The IUPAC name of CID 11251659 (CID 11251659) is not available.
What is the SMILES notation for CID 11251659?
The canonical SMILES for CID 11251659 is O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1c(Cl)cccc1Cl.[Pb].
What is the InChIKey of CID 11251659?
The InChIKey is PEZNSNKNVNIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H4Cl2O2.Pb/c4*8-4-2-1-3-5(9)6(4)7(10)11;/h4*1-3H,(H,10,11);.
What are the key properties of CID 11251659?
CID 11251659 has a molecular weight of 971.25 g/mol, XLogP of 10.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11251659 is sourced from PubChem (CID 11251659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).