Molecule

ID:22447

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₃S
Molecular Mass
205.2067232
Exact Mass
205.02089234
Charge
0
InChI
InChI=1S/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
JCPWNWBBZNNHDW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)S(=O)(=O)N
Isomeric Smiles
c1(cc(c(cc1)OC)F)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.699967
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.56428295
LogD (pH = 7.4)
0.56238407
Log P
0.5643073
Molar Refractivity
44.8955
Polarizability
17.958458
Polar Surface Area
69.39
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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