CID 174322695

C6H5NO4Pb — CID 174322695

IUPAC—
SMILESO=[N+]([O-])Oc1cccc(O)c1.[Pb]
InChIInChI=1S/C6H5NO4.Pb/c8-5-2-1-3-6(4-5)11-7(9)10;/h1-4,8H;
InChIKeyIEMCGALOWCAPDR-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.58
Rot. Bonds2

About CID 174322695

CID 174322695 (PubChem CID 174322695) has the molecular formula C6H5NO4Pb and a molecular weight of 362.31 g/mol.

Molecular Properties

Compound NameCID 174322695
PubChem CID174322695
Molecular FormulaC6H5NO4Pb
Molecular Weight362.31 g/mol
Exact Mass363.00
IUPAC Name—
SMILESO=[N+]([O-])Oc1cccc(O)c1.[Pb]
InChIInChI=1S/C6H5NO4.Pb/c8-5-2-1-3-6(4-5)11-7(9)10;/h1-4,8H;
InChIKeyIEMCGALOWCAPDR-UHFFFAOYSA-N
XLogP0.58
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of CID 174322695?
The IUPAC name of CID 174322695 (CID 174322695) is not available.
What is the SMILES notation for CID 174322695?
The canonical SMILES for CID 174322695 is O=[N+]([O-])Oc1cccc(O)c1.[Pb].
What is the InChIKey of CID 174322695?
The InChIKey is IEMCGALOWCAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4.Pb/c8-5-2-1-3-6(4-5)11-7(9)10;/h1-4,8H;.
What are the key properties of CID 174322695?
CID 174322695 has a molecular weight of 362.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174322695 is sourced from PubChem (CID 174322695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).