Molecule

ID:98154

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄O₂
Molecular Mass
196.0990728
Exact Mass
196.01474225
Charge
0
InChI
InChI=1S/C7H4F4O2/c8-6(9)4-1-3(12)2-5(13-4)7(10)11/h1-2,6-7H
InChIKey
BWIYIIBQPCMSQU-UHFFFAOYSA-N
Canonic Smiles
FC(c1oc(cc(=O)c1)C(F)F)F
Isomeric Smiles
o1c(cc(=O)cc1C(F)F)C(F)F
Calculated Properties
JChem
Acid pKa
19.203308
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2143805
LogD (pH = 7.4)
1.2143805
Log P
1.2143805
Molar Refractivity
37.1973
Polarizability
12.765477
Polar Surface Area
26.3
Rotatable Bonds
2
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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