Molecule

ID:10485

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O₃
Molecular Mass
232.1559896
Exact Mass
232.03472874
Charge
0
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-9-3-1-7(2-4-9)8(5-14)6-15/h1-6,8H
InChIKey
XPCIZTVZSLNGCF-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1ccc(cc1)OC(F)(F)F)C=O
Isomeric Smiles
c1c(ccc(c1)C(C=O)C=O)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
6.892762
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4423296
LogD (pH = 7.4)
1.8355929
Log P
2.459552
Molar Refractivity
44.8768
Polarizability
18.045116
Polar Surface Area
43.37
Rotatable Bonds
5
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
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References
Bioactivity
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