Molecule

ID:108817

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₀FeO₄

Molecular Mass

284.1298

Exact Mass

284.07109662

Charge

0

InChI

InChI=1S/2C6H10O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*5H,1-4H2,(H,7,8);

InChIKey

TVIVBANEEXZBHJ-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C1CCCC1.OC(=O)C1CCCC1.[Fe]

Isomeric Smiles

[Fe].OC(=O)C1CCCC1.OC(=O)C1CCCC1

Calculated Properties

JChem

Acid pKa

4.722388

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.6017201

LogD (pH = 7.4)

-1.1757828

Log P

1.4455879

Molar Refractivity

29.2449

Polarizability

11.591434

Polar Surface Area

37.3

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity