Molecule

ID:95461

General Information
Structure
Molecular Formula
C₁₄H₂F₈O₄
Molecular Mass
386.1505056
Exact Mass
385.9825343
Charge
0
InChI
InChI=1S/C14H2F8O4/c15-5-1(3(13(23)24)7(17)11(21)9(5)19)2-4(14(25)26)8(18)12(22)10(20)6(2)16/h(H,23,24)(H,25,26)
InChIKey
WYVUDNGZCSTNTR-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1c1c(F)c(F)c(c(c1C(=O)O)F)F)C(=O)O)F
Isomeric Smiles
O=C(c1c(c(c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)C(=O)O)O
Calculated Properties
JChem
Acid pKa
2.0587971
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8579146
LogD (pH = 7.4)
-2.9519968
Log P
4.0772524
Molar Refractivity
67.4378
Polarizability
24.781982
Polar Surface Area
74.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation