Molecule

ID:9877

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
InChIKey
XTXSTESGCXKUIH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)C(=O)C)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
15.479806
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.962005
LogD (pH = 7.4)
2.962005
Log P
2.962005
Molar Refractivity
39.5311
Polarizability
16.037973
Polar Surface Area
26.3
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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