Molecule

ID:41175

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₃N₄S
Molecular Mass
184.1429296
Exact Mass
184.00305178
Charge
0
InChI
InChI=1S/C3H3F3N4S/c4-3(5,6)1-9-10-2(8-7)11-1/h7H2,(H,8,10)
InChIKey
SKFBUURCTZKJRA-UHFFFAOYSA-N
Canonic Smiles
NNc1nnc(s1)C(F)(F)F
Isomeric Smiles
s1c(nnc1C(F)(F)F)NN
Calculated Properties
JChem
Acid pKa
2.0036933
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.42647073
LogD (pH = 7.4)
-0.42633593
Log P
1.0795779
Molar Refractivity
36.0201
Polarizability
11.608428
Polar Surface Area
63.83
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
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Molecule Details
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References
Bioactivity
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