Molecule

ID:122481

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₄S₂
Molecular Mass
330.3551432
Exact Mass
330.01442706
Charge
0
InChI
InChI=1S/C12H11FN2O4S2/c1-19-11(16)6-9-7-20-12(14-9)15-21(17,18)10-4-2-8(13)3-5-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
YHXUKCQTJUHBBX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1csc(n1)NS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(Nc1nc(CC(=O)OC)cs1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
6.7749825
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0963027
LogD (pH = 7.4)
1.569248
Log P
2.1161485
Molar Refractivity
73.493
Polarizability
29.174927
Polar Surface Area
85.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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