Molecule

ID:8660

General Information
Structure
MolImage
Molecular Formula
C₈H₈FN₃O₃S
Molecular Mass
245.2308232
Exact Mass
245.02704035
Charge
0
InChI
InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
InChIKey
YZWANFXENNWOOR-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(c2c1non2)F)C
Isomeric Smiles
c1cc(c2c(c1F)non2)S(=O)(=O)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.51935333
LogD (pH = 7.4)
0.51935333
Log P
0.51935333
Molar Refractivity
54.3025
Polarizability
21.781263
Polar Surface Area
76.3
Rotatable Bonds
1
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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