CID 171000020

H2CuFe2O4-2 — CID 171000020

IUPAC—
SMILES[Cu].[Fe+2].[Fe+2].[O-2].[O-2].[OH-].[OH-]
InChIInChI=1S/Cu.2Fe.2H2O.2O/h;;;2*1H2;;/q;2*+2;;;2*-2/p-2
InChIKeyAKRJUADLFSTXIK-UHFFFAOYSA-L
MW241.25 g/mol
LogP-0.60
Rot. Bonds

About CID 171000020

CID 171000020 (PubChem CID 171000020) has the molecular formula H2CuFe2O4-2 and a molecular weight of 241.25 g/mol.

Molecular Properties

Compound NameCID 171000020
PubChem CID171000020
Molecular FormulaH2CuFe2O4-2
Molecular Weight241.25 g/mol
Exact Mass240.80
IUPAC Name—
SMILES[Cu].[Fe+2].[Fe+2].[O-2].[O-2].[OH-].[OH-]
InChIInChI=1S/Cu.2Fe.2H2O.2O/h;;;2*1H2;;/q;2*+2;;;2*-2/p-2
InChIKeyAKRJUADLFSTXIK-UHFFFAOYSA-L
XLogP-0.60
TPSA117.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 171000020?
The IUPAC name of CID 171000020 (CID 171000020) is not available.
What is the SMILES notation for CID 171000020?
The canonical SMILES for CID 171000020 is [Cu].[Fe+2].[Fe+2].[O-2].[O-2].[OH-].[OH-].
What is the InChIKey of CID 171000020?
The InChIKey is AKRJUADLFSTXIK-UHFFFAOYSA-L. The full InChI is InChI=1S/Cu.2Fe.2H2O.2O/h;;;2*1H2;;/q;2*+2;;;2*-2/p-2.
What are the key properties of CID 171000020?
CID 171000020 has a molecular weight of 241.25 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171000020 is sourced from PubChem (CID 171000020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).