Molecule

ID:57332

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₅O₃
Molecular Mass
256.126216
Exact Mass
256.01588512
Charge
0
InChI
InChI=1S/C9H5F5O3/c10-8(11,12)9(13,14)17-6-4-2-1-3-5(6)7(15)16/h1-4H,(H,15,16)
InChIKey
GPGWFBMTAGNAKK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1OC(C(F)(F)F)(F)F
Isomeric Smiles
c1c(c(ccc1)C(=O)O)OC(F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.5708432
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3529196
LogD (pH = 7.4)
-0.07660093
Log P
3.2763925
Molar Refractivity
45.7926
Polarizability
16.584534
Polar Surface Area
46.53
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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