Molecule

ID:60792

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆F₂N₂O₂S
Molecular Mass
280.2500464
Exact Mass
280.01180488
Charge
0
InChI
InChI=1S/C12H6F2N2O2S/c13-6-1-2-9(7(14)5-6)16-11(17)10-8(3-4-19-10)15-12(16)18/h1-5H,(H,15,18)
InChIKey
JRZULTYQKNXWIY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)n1c(=O)[nH]c2c(c1=O)scc2
Isomeric Smiles
n1(c(=O)c2c([nH]c1=O)ccs2)c1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
10.030885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8268552
LogD (pH = 7.4)
2.8259032
Log P
2.8268673
Molar Refractivity
65.7731
Polarizability
23.525927
Polar Surface Area
49.41
Rotatable Bonds
0
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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