CID 6330464

C24H20NO3Pb — CID 6330464

IUPAC—
SMILESO=[N+]([O-])c1ccc(O)cc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H5NO3.3C6H5.Pb/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4,8H;3*1-5H;
InChIKeyISAZTBZNZQKYFA-UHFFFAOYSA-N
MW577.63 g/mol
LogP3.50
Rot. Bonds4

About CID 6330464

CID 6330464 (PubChem CID 6330464) has the molecular formula C24H20NO3Pb and a molecular weight of 577.63 g/mol.

Molecular Properties

Compound NameCID 6330464
PubChem CID6330464
Molecular FormulaC24H20NO3Pb
Molecular Weight577.63 g/mol
Exact Mass578.12
IUPAC Name—
SMILESO=[N+]([O-])c1ccc(O)cc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C6H5NO3.3C6H5.Pb/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4,8H;3*1-5H;
InChIKeyISAZTBZNZQKYFA-UHFFFAOYSA-N
XLogP3.50
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174864813
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CID 68529378
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carbonic acid;nitrobenzene
CID 68662598
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carbonic acid;nitrobenzene
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Frequently Asked Questions

What is the IUPAC name of CID 6330464?
The IUPAC name of CID 6330464 (CID 6330464) is not available.
What is the SMILES notation for CID 6330464?
The canonical SMILES for CID 6330464 is O=[N+]([O-])c1ccc(O)cc1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6330464?
The InChIKey is ISAZTBZNZQKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.3C6H5.Pb/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4,8H;3*1-5H;.
What are the key properties of CID 6330464?
CID 6330464 has a molecular weight of 577.63 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330464 is sourced from PubChem (CID 6330464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).