Molecule

ID:97232

General Information
Structure
Molecular Formula
C₁₁H₈ClF₅O₂
Molecular Mass
302.625036
Exact Mass
302.01329828
Charge
0
InChI
InChI=1S/C11H8ClF5O2/c1-2-19-8(18)3-5-7(12)4-6(11(15,16)17)10(14)9(5)13/h4H,2-3H2,1H3
InChIKey
NJFDIRUPBNGWKY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1c(Cl)cc(c(c1F)F)C(F)(F)F
Isomeric Smiles
Fc1c(cc(c(c1F)CC(=O)OCC)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
18.870213
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8809931
LogD (pH = 7.4)
3.8809931
Log P
3.8809931
Molar Refractivity
58.0946
Polarizability
21.447344
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