Molecule

ID:7115

General Information
Structure
Molecular Formula
C₉H₈F₄O
Molecular Mass
208.1528328
Exact Mass
208.05112776
Charge
0
InChI
InChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKey
VACIXOPZIXUAKS-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccc(cc1)C)(F)F)F
Isomeric Smiles
c1c(ccc(c1)C)OC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.811846
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6434703
LogD (pH = 7.4)
3.6434703
Log P
3.6434703
Molar Refractivity
42.6879
Polarizability
15.6986265
Polar Surface Area
9.23
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