Molecule

ID:99301

General Information
Structure
MolImage
Molecular Formula
C₆HF₁₁O
Molecular Mass
298.0539752
Exact Mass
297.98517507
Charge
0
InChI
InChI=1S/C6HF11O/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)18-5/h1H
InChIKey
HEOHDUODTKFWBO-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C1(F)OC1(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O1C(C1(F)F)(C(F)(F)C(F)(C(F)(C(F)F)F)F)F
Calculated Properties
JChem
Acid pKa
19.786924
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.999841
LogD (pH = 7.4)
3.999841
Log P
3.999841
Molar Refractivity
29.9296
Polarizability
12.14629
Polar Surface Area
12.53
Rotatable Bonds
4
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