Molecule

ID:110666

General Information

Structure

MolImage

Molecular Formula

C₁₅H₂₇FeO₆

Molecular Mass

359.21628

Exact Mass

359.11570108

Charge

0

InChI

InChI=1S/3C5H10O2.Fe/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3

InChIKey

RHAYTLAXRWFCKG-UHFFFAOYSA-K

Canonic Smiles

CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[Fe+3]

Isomeric Smiles

[Fe+3].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-]

Calculated Properties

JChem

Acid pKa

5.0138073

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.75783914

LogD (pH = 7.4)

-0.9914923

Log P

1.3663274

Molar Refractivity

37.3097

Polarizability

10.361316

Polar Surface Area

40.13

Rotatable Bonds

9

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