Molecule

ID:7110

General Information
Structure
Molecular Formula
C₈H₆F₄O₂
Molecular Mass
210.1256528
Exact Mass
210.03039231
Charge
0
InChI
InChI=1S/C8H6F4O2/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7,13H
InChIKey
DEXGNBYVIMYKJB-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)OC(C(F)F)(F)F
Isomeric Smiles
c1cc(cc(c1)O)OC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
9.375645
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8264263
LogD (pH = 7.4)
2.8219428
Log P
2.8264837
Molar Refractivity
39.6276
Polarizability
14.732056
Polar Surface Area
29.46
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