Molecule

ID:7004

General Information

Structure

Molecular Formula

C₃HClF₆

Molecular Mass

186.4834592

Exact Mass

185.96709703

Charge

0

InChI

InChI=1S/C3HClF6/c4-1(2(5,6)7)3(8,9)10/h1H

InChIKey

BKWAVXQSZLEURV-UHFFFAOYSA-N

Canonic Smiles

ClC(C(F)(F)F)C(F)(F)F

Isomeric Smiles

C(C(C(F)(F)F)Cl)(F)(F)F

Calculated Properties

JChem

Acid pKa

15.468772

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.8059742

LogD (pH = 7.4)

2.8059742

Log P

2.8059742

Molar Refractivity

21.8827

Polarizability

8.260539

Polar Surface Area

0.0

Rotatable Bonds

2

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