Molecule

ID:65409

General Information

Structure

Molecular Formula

C₄H₂FIN₂

Molecular Mass

223.9749532

Exact Mass

223.92467429

Charge

0

InChI

InChI=1S/C4H2FIN2/c5-3-4(6)8-2-1-7-3/h1-2H

InChIKey

ZGDOFCZYQIJHRG-UHFFFAOYSA-N

Canonic Smiles

Fc1nccnc1I

Isomeric Smiles

c1nc(c(nc1)I)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.0360657

LogD (pH = 7.4)

1.0360657

Log P

1.0360657

Molar Refractivity

36.0459

Polarizability

13.926483

Polar Surface Area

25.78

Rotatable Bonds

0

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