Molecule
ID:98839
General Information
Molecular Formula
C₆H₃F₁₁O₂
Molecular Mass
316.0692552
Exact Mass
315.99573976
Charge
0
InChI
InChI=1S/C6H3F11O2/c7-2(1-18,4(10,11)12)19-6(16,17)3(8,9)5(13,14)15/h18H,1H2
InChIKey
MSOLHCPBFWYOSH-UHFFFAOYSA-N
Canonic Smiles
OCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)C(F)(F)F)(F)F)C(CO)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
12.906792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5238352
LogD (pH = 7.4)
3.5238338
Log P
3.5238352
Molar Refractivity
35.1947
Polarizability
13.501375
Polar Surface Area
29.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...