Molecule

ID:97133

General Information
Structure
Molecular Formula
C₅H₃F₃N₂O₂S₂
Molecular Mass
244.2147296
Exact Mass
243.95880401
Charge
0
InChI
InChI=1S/C5H3F3N2O2S2/c6-5(7,8)3-9-10-4(14-3)13-1-2(11)12/h1H2,(H,11,12)
InChIKey
DCSSTXVXHXIMKQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1nnc(s1)C(F)(F)F
Isomeric Smiles
s1c(nnc1C(F)(F)F)SCC(=O)O
Calculated Properties
JChem
Acid pKa
3.0065172
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9738392
LogD (pH = 7.4)
-1.9910126
Log P
1.4828018
Molar Refractivity
45.3045
Polarizability
16.36938
Polar Surface Area
63.08
Rotatable Bonds
4
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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