CID 166529225

C7H7OPPb2 — CID 166529225

IUPAC—
SMILESO=Cc1ccccc1P.[Pb].[Pb]
InChIInChI=1S/C7H7OP.2Pb/c8-5-6-3-1-2-4-7(6)9;;/h1-5H,9H2;;
InChIKeyQVRJMHRUDJFTKR-UHFFFAOYSA-N
MW552.51 g/mol
LogP0.24
Rot. Bonds1

About CID 166529225

CID 166529225 (PubChem CID 166529225) has the molecular formula C7H7OPPb2 and a molecular weight of 552.51 g/mol.

Molecular Properties

Compound NameCID 166529225
PubChem CID166529225
Molecular FormulaC7H7OPPb2
Molecular Weight552.51 g/mol
Exact Mass553.98
IUPAC Name—
SMILESO=Cc1ccccc1P.[Pb].[Pb]
InChIInChI=1S/C7H7OP.2Pb/c8-5-6-3-1-2-4-7(6)9;;/h1-5H,9H2;;
InChIKeyQVRJMHRUDJFTKR-UHFFFAOYSA-N
XLogP0.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.51
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 166529225?
The IUPAC name of CID 166529225 (CID 166529225) is not available.
What is the SMILES notation for CID 166529225?
The canonical SMILES for CID 166529225 is O=Cc1ccccc1P.[Pb].[Pb].
What is the InChIKey of CID 166529225?
The InChIKey is QVRJMHRUDJFTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7OP.2Pb/c8-5-6-3-1-2-4-7(6)9;;/h1-5H,9H2;;.
What are the key properties of CID 166529225?
CID 166529225 has a molecular weight of 552.51 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166529225 is sourced from PubChem (CID 166529225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).