Molecule
ID:32133
General Information
Molecular Formula
C₉H₈F₄
Molecular Mass
192.1534328
Exact Mass
192.05621314
Charge
0
InChI
InChI=1S/C9H8F4/c1-2-9(12,13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChIKey
GTTINMBFUKEDJS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(F)cc(c1)F)(F)F
Isomeric Smiles
FC(F)(CC)c1cc(F)cc(c1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5326736
LogD (pH = 7.4)
3.5326736
Log P
3.5326736
Molar Refractivity
41.0654
Polarizability
14.909606
Polar Surface Area
0.0
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...