Molecule

ID:115223

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FN₂OS₂
Molecular Mass
294.3676432
Exact Mass
294.0296832
Charge
0
InChI
InChI=1S/C13H11FN2OS2/c1-7-6-10-11(19-7)12(17)16(13(18)15-10)9-4-2-8(14)3-5-9/h2-5,7H,6H2,1H3,(H,15,18)
InChIKey
PUTZISWNYZOWKG-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c(S1)c(=O)n(c(n2)S)c1ccc(cc1)F
Isomeric Smiles
c12c(=O)n(c(nc1CC(S2)C)S)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
5.95786
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9795008
LogD (pH = 7.4)
2.116902
Log P
3.0985818
Molar Refractivity
78.7382
Polarizability
29.303308
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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