Molecule

ID:9890

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₈O₂
Molecular Mass
246.0554056
Exact Mass
245.99270506
Charge
0
InChI
InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)
InChIKey
VGFKXVSMDOKOJZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(=O)O)(F)F)(F)F)(F)F)F
Isomeric Smiles
O=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
0.9377825
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.96881354
LogD (pH = 7.4)
-1.0068104
Log P
2.5221505
Molar Refractivity
26.7682
Polarizability
10.789635
Polar Surface Area
37.3
Rotatable Bonds
4
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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