Molecule

ID:98708

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₄O₂
Molecular Mass
174.0935528
Exact Mass
174.03039231
Charge
0
InChI
InChI=1S/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2
InChIKey
HFNPKDDYCOMYLN-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC1OC1)(F)F)F
Isomeric Smiles
O(CC1CO1)C(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.881853
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2802905
LogD (pH = 7.4)
1.2802905
Log P
1.2802905
Molar Refractivity
26.8827
Polarizability
10.408882
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...