Molecule

ID:100923

General Information

Structure

MolImage

Molecular Formula

C₈H₉FO

Molecular Mass

140.1548632

Exact Mass

140.06374313

Charge

0

InChI

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

InChIKey

QUXNTFQQUQFLDI-UHFFFAOYSA-N

Canonic Smiles

OCc1cccc(c1F)C

Isomeric Smiles

Fc1c(cccc1C)CO

Calculated Properties

JChem

Acid pKa

14.606495

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

14.215397

Polar Surface Area

20.23

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity