Molecule

ID:98660

General Information

Structure

Molecular Formula

C₈H₉FO

Molecular Mass

140.1548632

Exact Mass

140.06374313

Charge

0

InChI

InChI=1S/C8H9FO/c1-6-2-3-7(5-10)8(9)4-6/h2-4,10H,5H2,1H3

InChIKey

AAXNIIRIRHQSSX-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(cc1F)C

Isomeric Smiles

OCc1c(cc(cc1)C)F

Calculated Properties

JChem

Acid pKa

14.596147

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.8620194

LogD (pH = 7.4)

1.8620193

Log P

1.8620194

Molar Refractivity

38.1315

Polarizability

14.213996

Polar Surface Area

20.23

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