Molecule

ID:8048

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₄NO
Molecular Mass
145.0556328
Exact Mass
145.0150766
Charge
0
InChI
InChI=1S/C3H3F4NO/c4-1(2(8)9)3(5,6)7/h1H,(H2,8,9)
InChIKey
LBYKCQDGXLJODK-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(=O)N
Isomeric Smiles
C(C(C(=O)N)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
6.7789106
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.19109544
LogD (pH = 7.4)
-0.32595044
Log P
0.21060793
Molar Refractivity
19.6714
Polarizability
7.4667
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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