Molecule

ID:94457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₂O₃
Molecular Mass
228.1921064
Exact Mass
228.05980062
Charge
0
InChI
InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3
InChIKey
FLBIFWLBLQKDAE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1cc(F)ccc1F
Isomeric Smiles
Fc1c(cc(cc1)F)C(=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
6.102957
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1145678
LogD (pH = 7.4)
0.8984011
Log P
2.2112277
Molar Refractivity
52.7554
Polarizability
19.879887
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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