Molecule

ID:11378

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)1-8-9-2(11)10(1)7/h7H2,(H,9,11)
InChIKey
CTUZXHZTENNONS-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(n1N)S)(F)F
Isomeric Smiles
c1(n(c(nn1)S)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.287832
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.101377726
LogD (pH = 7.4)
-1.0111183
Log P
-0.038424324
Molar Refractivity
38.0578
Polarizability
12.1248045
Polar Surface Area
56.73
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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