Molecule

ID:6988

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₈O₂
Molecular Mass
260.0819856
Exact Mass
260.00835513
Charge
0
InChI
InChI=1S/C6H4F8O2/c1-16-3(15)5(11,12)6(13,14)4(9,10)2(7)8/h2H,1H3
InChIKey
NARNQFAFGNRNNN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.780851
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6680446
LogD (pH = 7.4)
2.6680446
Log P
2.6680446
Molar Refractivity
31.5373
Polarizability
12.566791
Polar Surface Area
26.3
Rotatable Bonds
5
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