Molecule

ID:97852

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₃O₃
Molecular Mass
254.5903496
Exact Mass
253.99575639
Charge
0
InChI
InChI=1S/C9H6ClF3O3/c10-8(14)5-15-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2
InChIKey
UCKXXLDQAUINGL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(c1ccc(cc1)OCC(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2579992
LogD (pH = 7.4)
3.2579992
Log P
3.2579992
Molar Refractivity
45.5346
Polarizability
18.835394
Polar Surface Area
35.53
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
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Molecule Details
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References
Bioactivity
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