Molecule

ID:66071

General Information

Structure

Molecular Formula

C₁₅H₉F₃

Molecular Mass

246.2271696

Exact Mass

246.06563495

Charge

0

InChI

InChI=1S/C15H9F3/c16-15(17,18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

InChIKey

RMHPWQJEUXDWJE-UHFFFAOYSA-N

Canonic Smiles

FC(c1c2ccccc2cc2c1cccc2)(F)F

Isomeric Smiles

c1cccc2cc3ccccc3c(c12)C(F)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.8300476

LogD (pH = 7.4)

4.8300476

Log P

4.8300476

Molar Refractivity

64.9321

Polarizability

26.215542

Polar Surface Area

0.0

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

No Data Available

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Molecule Details

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References

Bioactivity