Molecule

ID:9021

General Information
Structure
MolImage
Molecular Formula
C₄HF₆NO₂
Molecular Mass
209.0466592
Exact Mass
208.9911476
Charge
0
InChI
InChI=1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)
InChIKey
GMQVFHZSXKJCIV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)NC(=O)C(F)(F)F
Isomeric Smiles
N(C(=O)C(F)(F)F)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.9502492
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6252253
LogD (pH = 7.4)
-0.71863276
Log P
1.2229773
Molar Refractivity
26.0522
Polarizability
9.684717
Polar Surface Area
46.17
Rotatable Bonds
2
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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