Molecule

ID:7726

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄O
Molecular Mass
192.1103728
Exact Mass
192.01982763
Charge
0
InChI
InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey
LUKLMXJAEKXROG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C(F)(F)F
Isomeric Smiles
c1cc(ccc1F)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.805924
LogD (pH = 7.4)
2.805924
Log P
2.805924
Molar Refractivity
37.6874
Polarizability
13.392521
Polar Surface Area
17.07
Rotatable Bonds
2
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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