Molecule

ID:97520

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₆N₂O₂
Molecular Mass
238.0878792
Exact Mass
238.0176967
Charge
0
InChI
InChI=1S/C5H4F6N2O2/c6-3(7,1(12)14)5(10,11)4(8,9)2(13)15/h(H2,12,14)(H2,13,15)
InChIKey
WBOGURVAQVCKGX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(C(=O)N)(F)F)(F)F)(F)F
Isomeric Smiles
NC(=O)C(F)(C(F)(F)C(C(=O)N)(F)F)F
Calculated Properties
JChem
Acid pKa
5.329686
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5190126
LogD (pH = 7.4)
0.77279466
Log P
0.22429134
Molar Refractivity
32.087
Polarizability
12.447251
Polar Surface Area
86.18
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
References
Bioactivity
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