Molecule

ID:94146

General Information
Structure
MolImage
Molecular Formula
C₄HF₄NO₂
Molecular Mass
171.0498528
Exact Mass
170.99434116
Charge
0
InChI
InChI=1S/C4HF4NO2/c5-3(6)1(10)9-2(11)4(3,7)8/h(H,9,10,11)
InChIKey
LHNPDXSWOZFOAO-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(C1(F)F)(F)F
Isomeric Smiles
N1C(=O)C(F)(F)C(C1=O)(F)F
Calculated Properties
JChem
Acid pKa
2.6624935
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3489218
LogD (pH = 7.4)
-1.3997108
Log P
0.54254526
Molar Refractivity
22.519
Polarizability
8.817716
Polar Surface Area
46.17
Rotatable Bonds
0
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
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References
Bioactivity
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