Molecule

ID:57333

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄O₂
Molecular Mass
208.1097728
Exact Mass
208.01474225
Charge
0
InChI
InChI=1S/C8H4F4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)
InChIKey
COOULIOYEXBFDT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(C)c(F)c(c(c1F)C(=O)O)F
Isomeric Smiles
C(=O)(O)c1c(F)c(F)c(c(c1F)F)C
Calculated Properties
JChem
Acid pKa
2.144441
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41796958
LogD (pH = 7.4)
-0.8063278
Log P
2.7150578
Molar Refractivity
39.221
Polarizability
13.8484125
Polar Surface Area
37.3
Rotatable Bonds
1
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
References
Bioactivity
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