Molecule
ID:9713
General Information
Molecular Formula
C₄H₄F₄N₂O₂
Molecular Mass
188.0803728
Exact Mass
188.02089026
Charge
0
InChI
InChI=1S/C4H4F4N2O2/c5-3(6,1(9)11)4(7,8)2(10)12/h(H2,9,11)(H2,10,12)
InChIKey
MYWRUVWOYAPWLT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(=O)N)(F)F)(F)F
Isomeric Smiles
O=C(N)C(C(C(=O)N)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
6.749585
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.45516545
LogD (pH = 7.4)
-0.04060324
Log P
-0.47635138
Molar Refractivity
27.419
Polarizability
10.582391
Polar Surface Area
86.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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