CID 173456792

H5CaFePPbZn — CID 173456792

IUPAC—
SMILESP.[Ca+2].[Fe].[H-].[H-].[Pb].[Zn]
InChIInChI=1S/Ca.Fe.H3P.Pb.Zn.2H/h;;1H3;;;;/q+2;;;;;2*-1
InChIKeyQGKHCIYDUQEMNE-UHFFFAOYSA-N
MW404.53 g/mol
LogP-0.48
Rot. Bonds

About CID 173456792

CID 173456792 (PubChem CID 173456792) has the molecular formula H5CaFePPbZn and a molecular weight of 404.53 g/mol.

Molecular Properties

Compound NameCID 173456792
PubChem CID173456792
Molecular FormulaH5CaFePPbZn
Molecular Weight404.53 g/mol
Exact Mass403.82
IUPAC Name—
SMILESP.[Ca+2].[Fe].[H-].[H-].[Pb].[Zn]
InChIInChI=1S/Ca.Fe.H3P.Pb.Zn.2H/h;;1H3;;;;/q+2;;;;;2*-1
InChIKeyQGKHCIYDUQEMNE-UHFFFAOYSA-N
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173456792?
The IUPAC name of CID 173456792 (CID 173456792) is not available.
What is the SMILES notation for CID 173456792?
The canonical SMILES for CID 173456792 is P.[Ca+2].[Fe].[H-].[H-].[Pb].[Zn].
What is the InChIKey of CID 173456792?
The InChIKey is QGKHCIYDUQEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Fe.H3P.Pb.Zn.2H/h;;1H3;;;;/q+2;;;;;2*-1.
What are the key properties of CID 173456792?
CID 173456792 has a molecular weight of 404.53 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173456792 is sourced from PubChem (CID 173456792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).