Molecule

ID:8046

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄O₂
Molecular Mass
208.1097728
Exact Mass
208.01474225
Charge
0
InChI
InChI=1S/C8H4F4O2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H2
InChIKey
KKPOQYDRSXVVEJ-UHFFFAOYSA-N
Canonic Smiles
Fc1c2OCCOc2c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c2c(c1F)OCCO2)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0571861
LogD (pH = 7.4)
2.0571861
Log P
2.0571861
Molar Refractivity
37.881
Polarizability
14.018401
Polar Surface Area
18.46
Rotatable Bonds
0
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
Navigation