Molecule

ID:112045

General Information

Structure

MolImage

Molecular Formula

C₄FeKO₈

Molecular Mass

270.9813

Exact Mass

270.85796114

Charge

0

InChI

InChI=1S/2C2H2O4.Fe.K/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;+3;+1/p-4

InChIKey

ZYXVPFJJYHJPMV-UHFFFAOYSA-J

Canonic Smiles

[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[K+].[Fe+3]

Isomeric Smiles

[K+].[Fe+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]

Calculated Properties

JChem

Acid pKa

1.3639908

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-5.101814

LogD (pH = 7.4)

-6.8848467

Log P

-0.26375157

Molar Refractivity

36.1128

Polarizability

5.6277657

Polar Surface Area

80.26

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity