Molecule

ID:8260

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉O₂
Molecular Mass
292.0990288
Exact Mass
292.01458338
Charge
0
InChI
InChI=1S/C7H5F9O2/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKey
JBEYNXOZKKQLOH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.513613
LogD (pH = 7.4)
3.513613
Log P
3.513613
Molar Refractivity
37.1756
Polarizability
14.334439
Polar Surface Area
26.3
Rotatable Bonds
6
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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