Molecule

ID:93155

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₄O
Molecular Mass
194.1262528
Exact Mass
194.03547769
Charge
0
InChI
InChI=1S/C8H6F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChIKey
MTBRNORZNYPTIU-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)F)C(F)(F)F
Isomeric Smiles
OCc1cc(c(cc1)C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
14.803993
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2264464
LogD (pH = 7.4)
2.2264464
Log P
2.2264464
Molar Refractivity
39.064
Polarizability
13.905884
Polar Surface Area
20.23
Rotatable Bonds
2
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