Molecule

ID:100522

General Information
Structure
Loading...
Molecular Formula
C₁₁H₁₁FO₃
Molecular Mass
210.2016432
Exact Mass
210.06922243
Charge
0
InChI
InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKey
SJUXLKYJKQBZLM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1ccc(cc1)F
Isomeric Smiles
O=C(CC(=O)c1ccc(cc1)F)OCC
Calculated Properties
JChem
Acid pKa
10.536779
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0685217
LogD (pH = 7.4)
2.0682092
Log P
2.0685258
Molar Refractivity
52.539
Polarizability
20.080389
Polar Surface Area
43.37
Rotatable Bonds
5
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
Loading...
References
Loading...
Bioactivity
Loading...