Molecule

ID:9658

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₅O₃
Molecular Mass
242.099636
Exact Mass
242.00023506
Charge
0
InChI
InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)
InChIKey
SMXPFEBIAASLOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(F)c(F)c(c(c1F)F)OCC(=O)O
Calculated Properties
JChem
Acid pKa
1.8009707
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2980148
LogD (pH = 7.4)
-1.5187167
Log P
2.0070674
Molar Refractivity
39.6878
Polarizability
14.733513
Polar Surface Area
46.53
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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