Molecule

ID:8236

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO₂S₂
Molecular Mass
297.3171096
Exact Mass
297.01050523
Charge
0
InChI
InChI=1S/C10H10F3NO2S2/c11-10(12,13)8-3-1-2-7(4-8)5-18(15,16)6-9(14)17/h1-4H,5-6H2,(H2,14,17)
InChIKey
MUDDTUQATCGWDY-UHFFFAOYSA-N
Canonic Smiles
NC(=S)CS(=O)(=O)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1c(cc(cc1)CS(=O)(=O)CC(=S)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
4.557646
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.486867
LogD (pH = 7.4)
-1.0818514
Log P
1.471017
Molar Refractivity
66.685
Polarizability
25.752787
Polar Surface Area
60.16
Rotatable Bonds
5
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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