Molecule

ID:98656

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃O₃
Molecular Mass
208.1345896
Exact Mass
208.03472874
Charge
0
InChI
InChI=1S/C8H7F3O3/c9-8(10,11)6(7(12)13)4-5-2-1-3-14-5/h1-3,6H,4H2,(H,12,13)
InChIKey
QBYZPEJVGHRMIX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)Cc1ccco1
Isomeric Smiles
o1cccc1CC(C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.883068
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2452995
LogD (pH = 7.4)
-1.354795
Log P
1.8673153
Molar Refractivity
40.0185
Polarizability
14.812942
Polar Surface Area
50.44
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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