Molecule

ID:12176

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₆O
Molecular Mass
194.0750792
Exact Mass
194.01663407
Charge
0
InChI
InChI=1S/C5H4F6O/c1-2-3(12,4(6,7)8)5(9,10)11/h2,12H,1H2
InChIKey
VUSMHPJJFLCUOR-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
C(C(F)(F)F)(C(F)(F)F)(O)C=C
Calculated Properties
JChem
Acid pKa
7.6213593
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1031325
LogD (pH = 7.4)
1.9023588
Log P
2.106401
Molar Refractivity
27.884
Polarizability
10.071786
Polar Surface Area
20.23
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