Molecule

ID:8262

General Information
Structure
Molecular Formula
C₈H₅F₉O₂
Molecular Mass
304.1097288
Exact Mass
304.01458338
Charge
0
InChI
InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2
InChIKey
OUJAXDQRZMGUOM-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8880548
LogD (pH = 7.4)
3.8880548
Log P
3.8880548
Molar Refractivity
41.5897
Polarizability
15.71856
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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