Molecule

ID:32145

General Information

Structure

Molecular Formula

C₉H₇F₅

Molecular Mass

210.143896

Exact Mass

210.04679132

Charge

0

InChI

InChI=1S/C9H7F5/c10-8(11,9(12,13)14)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

XROGZQSHCWSSRG-UHFFFAOYSA-N

Canonic Smiles

FC(C(F)(F)F)(Cc1ccccc1)F

Isomeric Smiles

c1cc(ccc1)CC(F)(F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6116967

LogD (pH = 7.4)

3.6116967

Log P

3.6116967

Molar Refractivity

41.5651

Polarizability

14.872385

Polar Surface Area

0.0

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity