Molecule

ID:6456

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3
InChIKey
JFFLBWZTJAWGNP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
c1cc(ccc1C(=O)OC)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4078343
LogD (pH = 7.4)
3.4078343
Log P
3.4078343
Molar Refractivity
41.1536
Polarizability
16.824371
Polar Surface Area
35.53
Rotatable Bonds
4
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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