Molecule

ID:13673

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₉O₃
Molecular Mass
310.1143088
Exact Mass
310.02514806
Charge
0
InChI
InChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2
InChIKey
IESBVSNCDNHMSL-UHFFFAOYSA-N
Canonic Smiles
FC(COC(OCC(F)(F)F)OCC(F)(F)F)(F)F
Isomeric Smiles
O(C(OCC(F)(F)F)OCC(F)(F)F)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6087303
LogD (pH = 7.4)
3.6087303
Log P
3.6087303
Molar Refractivity
41.6887
Polarizability
15.693555
Polar Surface Area
27.69
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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