Molecule

ID:22522

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃N₂S
Molecular Mass
168.1402296
Exact Mass
167.99690377
Charge
0
InChI
InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
InChIKey
OVMGTNMCYLZGLS-UHFFFAOYSA-N
Canonic Smiles
FC(c1csc(n1)N)(F)F
Isomeric Smiles
Nc1scc(n1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.292152
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7507205
LogD (pH = 7.4)
1.7510571
Log P
1.7510614
Molar Refractivity
31.0418
Polarizability
10.875005
Polar Surface Area
38.91
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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