Molecule

ID:8237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂S₃
Molecular Mass
308.3661896
Exact Mass
307.97234589
Charge
0
InChI
InChI=1S/C10H7F3N2S3/c11-10(12,13)7-3-1-2-6(4-7)5-17-9-15-14-8(16)18-9/h1-4H,5H2,(H,14,16)
InChIKey
GYRMUGAZBJIPHZ-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(s1)SCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1c(cc(cc1)CSc1sc(nn1)S)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.3554573
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.282314
LogD (pH = 7.4)
3.4055214
Log P
4.33676
Molar Refractivity
71.74
Polarizability
26.04184
Polar Surface Area
25.78
Rotatable Bonds
4
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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