Molecule

ID:94642

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₆N₂O₂
Molecular Mass
224.0612992
Exact Mass
224.00204663
Charge
0
InChI
InChI=1S/C4H2F6N2O2/c5-3(6,7)1(13)11-12-2(14)4(8,9)10/h(H,11,13)(H,12,14)
InChIKey
UNVFMKVRYRCPIS-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)NNC(=O)C(F)(F)F
Isomeric Smiles
N(NC(=O)C(F)(F)F)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
0.41450968
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.240263
LogD (pH = 7.4)
-1.2409605
Log P
0.6449196
Molar Refractivity
29.3522
Polarizability
10.819174
Polar Surface Area
58.2
Rotatable Bonds
3
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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