Molecule

ID:57616

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃N₃S
Molecular Mass
169.1282896
Exact Mass
168.99215274
Charge
0
InChI
InChI=1S/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)
InChIKey
GNXURBGECTYCRJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc([nH]1)S)(F)F
Isomeric Smiles
[nH]1c(nnc1C(F)(F)F)S
Calculated Properties
JChem
Acid pKa
5.8880396
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.76074713
LogD (pH = 7.4)
-1.0891382
Log P
0.9271747
Molar Refractivity
32.163
Polarizability
10.954826
Polar Surface Area
41.57
Rotatable Bonds
1
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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