Molecule

ID:99591

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄O₂
Molecular Mass
208.1097728
Exact Mass
208.01474225
Charge
0
InChI
InChI=1S/C8H4F4O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H
InChIKey
CGOFJJTXLIWONB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)OC(F)(F)F)F
Isomeric Smiles
O=Cc1cc(c(cc1)F)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2595618
LogD (pH = 7.4)
3.2595618
Log P
3.2595618
Molar Refractivity
35.9287
Polarizability
14.198815
Polar Surface Area
26.3
Rotatable Bonds
3
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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