Molecule

ID:100683

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₂N₂OS
Molecular Mass
240.2292464
Exact Mass
240.01689026
Charge
0
InChI
InChI=1S/C10H6F2N2OS/c11-5-1-2-6(7(12)3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15)
InChIKey
NHQYYXGZHSVWOK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)c1scc(n1)C(=O)N
Isomeric Smiles
s1cc(nc1c1ccc(cc1F)F)C(=O)N
Calculated Properties
JChem
Acid pKa
14.302088
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.178703
LogD (pH = 7.4)
2.1787033
Log P
2.1787033
Molar Refractivity
65.5072
Polarizability
20.746256
Polar Surface Area
55.98
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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