Molecule

ID:93192

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H7F3O3/c1-5-4-6(15-9(10,11)12)2-3-7(5)8(13)14/h2-4H,1H3,(H,13,14)
InChIKey
GINWJGHZNRKJEK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1C)OC(F)(F)F
Isomeric Smiles
OC(=O)c1c(cc(cc1)OC(F)(F)F)C
Calculated Properties
JChem
Acid pKa
4.1167474
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.177592
LogD (pH = 7.4)
0.48702496
Log P
3.5753617
Molar Refractivity
41.4257
Polarizability
16.544044
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
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Molecule Details
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References
Bioactivity
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