Molecule

ID:94260

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3
InChIKey
WRNVSUJHRFXTKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(F)c(c(c1F)OC)F
Isomeric Smiles
O(C(=O)c1cc(c(c(c1F)OC)F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2471573
LogD (pH = 7.4)
2.2471573
Log P
2.2471573
Molar Refractivity
45.1957
Polarizability
16.728884
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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