Molecule

ID:9293

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O₂
Molecular Mass
190.1193096
Exact Mass
190.02416406
Charge
0
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChIKey
FBRJYBGLCHWYOE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(F)(F)F
Isomeric Smiles
c1(c(cccc1)C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.1202734
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15686612
LogD (pH = 7.4)
-0.94977045
Log P
2.5086772
Molar Refractivity
39.2879
Polarizability
14.032643
Polar Surface Area
37.3
Rotatable Bonds
2
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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