Molecule

ID:100473

General Information

Structure

MolImage

Molecular Formula

C₅H₃F₅O

Molecular Mass

174.068736

Exact Mass

174.01040582

Charge

0

InChI

InChI=1S/C5H3F5O/c1-11-3-2(6)4(7,8)5(3,9)10/h1H3

InChIKey

VTGREVXBYIAJOY-UHFFFAOYSA-N

Canonic Smiles

COC1=C(F)C(C1(F)F)(F)F

Isomeric Smiles

O(C1=C(C(C1(F)F)(F)F)F)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.1459019

LogD (pH = 7.4)

1.1459019

Log P

1.1459019

Molar Refractivity

26.4259

Polarizability

9.404357

Polar Surface Area

9.23

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