Molecule

ID:71752

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃N₄S
Molecular Mass
198.1695096
Exact Mass
198.01870184
Charge
0
InChI
InChI=1S/C4H5F3N4S/c1-12-3-10-9-2(11(3)8)4(5,6)7/h8H2,1H3
InChIKey
HUFJPELXLLYBSQ-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(n1N)C(F)(F)F
Isomeric Smiles
n1(c(nnc1C(F)(F)F)SC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4965639
LogD (pH = 7.4)
0.49658537
Log P
0.49658564
Molar Refractivity
42.8069
Polarizability
13.872304
Polar Surface Area
56.73
Rotatable Bonds
2
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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