Molecule
ID:36986
General Information
Molecular Formula
C₁₀H₆F₃NOS₂
Molecular Mass
277.2859496
Exact Mass
276.98429048
Charge
0
InChI
InChI=1S/C10H6F3NOS2/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKey
AJEXEUDSGYIZHZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(=S)N1c1ccc(cc1)C(F)(F)F
Isomeric Smiles
N1(C(=O)CSC1=S)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
17.404053
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3715882
LogD (pH = 7.4)
3.3715882
Log P
3.3715882
Molar Refractivity
64.1785
Polarizability
23.97409
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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