Molecule

ID:33652

General Information

Structure

Molecular Formula

C₅H₆F₂N₂

Molecular Mass

132.1113464

Exact Mass

132.04990464

Charge

0

InChI

InChI=1S/C5H6F2N2/c1-4-2-3-9(8-4)5(6)7/h2-3,5H,1H3

InChIKey

AEJSDPLGJZFJRT-UHFFFAOYSA-N

Canonic Smiles

FC(n1ccc(n1)C)F

Isomeric Smiles

n1(nc(cc1)C)C(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.4589926

LogD (pH = 7.4)

1.4592313

Log P

1.4592342

Molar Refractivity

39.5618

Polarizability

10.378084

Polar Surface Area

17.82

Rotatable Bonds

1

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