Molecule
ID:22316
General Information
Molecular Formula
C₈H₈F₂O₂
Molecular Mass
174.1447264
Exact Mass
174.04923594
Charge
0
InChI
InChI=1S/C8H8F2O2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3
InChIKey
XBYYVWUGEHVLDO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1F)OC)F
Isomeric Smiles
c1c(c(c(c(c1)F)OC)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9433072
LogD (pH = 7.4)
1.9433072
Log P
1.9433072
Molar Refractivity
39.4172
Polarizability
14.868616
Polar Surface Area
18.46
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...