Molecule

ID:8126

General Information
Structure
MolImage
Molecular Formula
C₂H₂F₃NO
Molecular Mass
113.0385896
Exact Mass
113.00884835
Charge
0
InChI
InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
NRKYWOKHZRQRJR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(F)(F)F
Isomeric Smiles
C(=O)(C(F)(F)F)N
Calculated Properties
JChem
Acid pKa
5.5083613
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2610046
LogD (pH = 7.4)
0.37649268
Log P
0.10204031
Molar Refractivity
15.4761
Polarizability
5.7068906
Polar Surface Area
43.09
Rotatable Bonds
1
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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