Molecule

ID:99223

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₄NO₂
Molecular Mass
175.0816128
Exact Mass
175.02564129
Charge
0
InChI
InChI=1S/C4H5F4NO2/c1-11-3(5,2(9)10)4(6,7)8/h1H3,(H2,9,10)
InChIKey
DMDUFSAURLOQDT-UHFFFAOYSA-N
Canonic Smiles
COC(C(F)(F)F)(C(=O)N)F
Isomeric Smiles
NC(=O)C(F)(C(F)(F)F)OC
Calculated Properties
JChem
Acid pKa
7.680085
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6880151
LogD (pH = 7.4)
0.8018108
Log P
0.6854787
Molar Refractivity
26.2762
Polarizability
9.966326
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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