Molecule

ID:95175

General Information
Structure
Molecular Formula
C₁₀H₆F₆O
Molecular Mass
256.1444592
Exact Mass
256.03228413
Charge
0
InChI
InChI=1S/C10H6F6O/c1-5(17)7-3-2-6(9(11,12)13)4-8(7)10(14,15)16/h2-4H,1H3
InChIKey
MHLYNSLYUWMONA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(ccc(c1)C(F)(F)F)C(=O)C)(F)F
Calculated Properties
JChem
Acid pKa
15.530298
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2865903
LogD (pH = 7.4)
3.2865903
Log P
3.2865903
Molar Refractivity
48.4082
Polarizability
16.892056
Polar Surface Area
17.07
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