Molecule

ID:10593

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₂O₂
Molecular Mass
136.0967464
Exact Mass
136.03358587
Charge
0
InChI
InChI=1S/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3
InChIKey
XUGVULWHXORSOM-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)CC(=O)C)F
Isomeric Smiles
C(C(=O)CC(=O)C)(F)F
Calculated Properties
JChem
Acid pKa
7.4045267
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.73743397
LogD (pH = 7.4)
0.44431627
Log P
0.74280775
Molar Refractivity
26.2288
Polarizability
9.883598
Polar Surface Area
34.14
Rotatable Bonds
3
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