Molecule

ID:99232

General Information
Structure
Molecular Formula
C₁₂H₈F₄O
Molecular Mass
244.1849328
Exact Mass
244.05112776
Charge
0
InChI
InChI=1S/C12H8F4O/c13-11(14)12(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKey
WIZIHZWINSXQHH-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccc2c(c1)cccc2)(F)F)F
Isomeric Smiles
O(c1ccc2c(c1)cccc2)C(F)(F)C(F)F
Calculated Properties
JChem
Acid pKa
18.81184
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.119526
LogD (pH = 7.4)
4.119526
Log P
4.119526
Molar Refractivity
54.0969
Polarizability
21.133936
Polar Surface Area
9.23
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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