Molecule

ID:9761

General Information
Structure
Molecular Formula
C₉H₅F₅O₂
Molecular Mass
240.126816
Exact Mass
240.0209705
Charge
0
InChI
InChI=1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3
InChIKey
DFUDMSIRGGTHGI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(CC)C(=O)c1c(F)c(F)c(F)c(F)c1F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0470405
LogD (pH = 7.4)
3.0470405
Log P
3.0470405
Molar Refractivity
43.9139
Polarizability
15.827071
Polar Surface Area
26.3
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