Molecule
ID:95472
General Information
Molecular Formula
C₁₃H₁₀F₈O₂
Molecular Mass
350.2045256
Exact Mass
350.05530532
Charge
0
InChI
InChI=1S/C13H10F8O2/c14-10(15)12(18,19)13(20,21)11(16,17)9(23)6-8(22)7-4-2-1-3-5-7/h1-5,9-10,23H,6H2
InChIKey
YCAHTGLVMDENOA-UHFFFAOYSA-N
Canonic Smiles
OC(C(C(C(C(F)F)(F)F)(F)F)(F)F)CC(=O)c1ccccc1
Isomeric Smiles
FC(C(C(CC(=O)c1ccccc1)O)(F)F)(C(C(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
9.72661
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.578663
LogD (pH = 7.4)
3.5766478
Log P
3.578689
Molar Refractivity
61.097
Polarizability
22.904388
Polar Surface Area
37.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...