Molecule

ID:66082

General Information

Structure

Molecular Formula

C₁₇H₁₀F₂

Molecular Mass

252.2581064

Exact Mass

252.07505676

Charge

0

InChI

InChI=1S/C17H10F2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H

InChIKey

IYMSRSKFOPLGAV-UHFFFAOYSA-N

Canonic Smiles

FC(c1ccc2c3c1ccc1c3c(cc2)ccc1)F

Isomeric Smiles

c1(ccc2ccc3cccc4ccc1c2c34)C(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.6730156

LogD (pH = 7.4)

4.6730156

Log P

4.6730156

Molar Refractivity

71.8066

Polarizability

30.713453

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

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Molecule Details

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References

Bioactivity