Molecule

ID:97530

General Information
Structure
Molecular Formula
C₁₁H₂F₁₈O₂
Molecular Mass
508.1036376
Exact Mass
507.97673726
Charge
0
InChI
InChI=1S/C11H2F18O2/c12-4(13,6(16,17)8(20,21)10(24,25)26)2(30)1-3(31)5(14,15)7(18,19)9(22,23)11(27,28)29/h1H2
InChIKey
OYJDIUNBPLCGDV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(C(=O)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
2.8421729
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2510266
LogD (pH = 7.4)
3.6305156
Log P
6.7966475
Molar Refractivity
56.1184
Polarizability
21.613226
Polar Surface Area
34.14
Rotatable Bonds
10
Lipinski's Rule of Five
false
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