Molecule

ID:93766

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄O₂
Molecular Mass
196.0990728
Exact Mass
196.01474225
Charge
0
InChI
InChI=1S/C7H4F4O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChIKey
UTFSPWRTXCDUIJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)OC(F)(F)F
Isomeric Smiles
Fc1c(ccc(c1)O)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
8.7421875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.243247
LogD (pH = 7.4)
3.224302
Log P
3.243494
Molar Refractivity
31.3256
Polarizability
12.965062
Polar Surface Area
29.46
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
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Molecule Details
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References
Bioactivity
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