Molecule

ID:96218

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂F₃NO₃
Molecular Mass
282.0445296
Exact Mass
280.98333314
Charge
0
InChI
InChI=1S/C7H8Cl2F3NO3/c1-2-16-5(15)6(9,7(10,11)12)13-4(14)3-8/h2-3H2,1H3,(H,13,14)
InChIKey
IRSDCYYKDISRRJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(NC(=O)CCl)Cl
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OCC)Cl)C(=O)CCl
Calculated Properties
JChem
Acid pKa
4.670198
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3931298
LogD (pH = 7.4)
1.0980171
Log P
2.0347326
Molar Refractivity
49.9935
Polarizability
19.338848
Polar Surface Area
55.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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