Molecule

ID:9238

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
InChIKey
SDGXYUQKJPFLDG-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)C(F)(F)F)C(=O)O
Isomeric Smiles
c1cc(ccc1C(O)C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.2245293
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.48053533
LogD (pH = 7.4)
-1.6673429
Log P
1.7736841
Molar Refractivity
44.6775
Polarizability
16.562607
Polar Surface Area
57.53
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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