CID 173460616

C22H23O2Pb — CID 173460616

IUPAC—
SMILESCCCC(=O)O.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C4H8O2.Pb/c3*1-2-4-6-5-3-1;1-2-3-4(5)6;/h3*1-5H;2-3H2,1H3,(H,5,6);
InChIKeySWOHOZVIGBLXMP-UHFFFAOYSA-N
MW526.62 g/mol
LogP3.07
Rot. Bonds5

About CID 173460616

CID 173460616 (PubChem CID 173460616) has the molecular formula C22H23O2Pb and a molecular weight of 526.62 g/mol.

Molecular Properties

Compound NameCID 173460616
PubChem CID173460616
Molecular FormulaC22H23O2Pb
Molecular Weight526.62 g/mol
Exact Mass527.15
IUPAC Name—
SMILESCCCC(=O)O.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C4H8O2.Pb/c3*1-2-4-6-5-3-1;1-2-3-4(5)6;/h3*1-5H;2-3H2,1H3,(H,5,6);
InChIKeySWOHOZVIGBLXMP-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 173460616?
The IUPAC name of CID 173460616 (CID 173460616) is not available.
What is the SMILES notation for CID 173460616?
The canonical SMILES for CID 173460616 is CCCC(=O)O.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 173460616?
The InChIKey is SWOHOZVIGBLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C4H8O2.Pb/c3*1-2-4-6-5-3-1;1-2-3-4(5)6;/h3*1-5H;2-3H2,1H3,(H,5,6);.
What are the key properties of CID 173460616?
CID 173460616 has a molecular weight of 526.62 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173460616 is sourced from PubChem (CID 173460616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).