Molecule

ID:55972

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₆O₃
Molecular Mass
288.1432592
Exact Mass
288.02211337
Charge
0
InChI
InChI=1S/C10H6F6O3/c11-8(9(12,13)14)10(15,16)19-6-3-1-5(2-4-6)7(17)18/h1-4,8H,(H,17,18)
InChIKey
CITRBORWAIVSJU-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccc(cc1)C(=O)O)(F)F)C(F)(F)F
Isomeric Smiles
C(C(C(F)(F)F)F)(Oc1ccc(C(=O)O)cc1)(F)F
Calculated Properties
JChem
Acid pKa
4.272626
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.286941
LogD (pH = 7.4)
0.5543968
Log P
3.5371492
Molar Refractivity
50.063
Polarizability
18.332197
Polar Surface Area
46.53
Rotatable Bonds
5
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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