Molecule

ID:95496

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀F₃O₆P
Molecular Mass
336.2418706
Exact Mass
336.09495965
Charge
0
InChI
InChI=1S/C11H20F3O6P/c1-4-7-18-21(16,19-8-5-2)20-9(11(12,13)14)10(15)17-6-3/h9H,4-8H2,1-3H3
InChIKey
QYAJNPSNQGVYGY-UHFFFAOYSA-N
Canonic Smiles
CCCOP(=O)(OC(C(F)(F)F)C(=O)OCC)OCCC
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCCC)OCCC
Calculated Properties
JChem
Acid pKa
13.48662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.020177
LogD (pH = 7.4)
3.0201766
Log P
3.020177
Molar Refractivity
67.4417
Polarizability
26.881502
Polar Surface Area
71.06
Rotatable Bonds
12
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