Molecule

ID:54362

General Information
Structure
MolImage
Molecular Formula
C₂H₂F₃NS
Molecular Mass
129.1041896
Exact Mass
128.98600473
Charge
0
InChI
InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
VZBAIMIVLDKBTE-UHFFFAOYSA-N
Canonic Smiles
NC(=S)C(F)(F)F
Isomeric Smiles
C(C(=S)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
-7.4110136
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-0.60554355
LogD (pH = 7.4)
0.53842497
Log P
0.9919099
Molar Refractivity
23.467
Polarizability
8.560171
Polar Surface Area
26.02
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
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References
Bioactivity
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