Molecule

ID:30100

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₄S
Molecular Mass
219.1902432
Exact Mass
219.0001569
Charge
0
InChI
InChI=1S/C7H6FNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
NGBMRUQCUCRKQN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)S(=O)(=O)N)F
Isomeric Smiles
S(=O)(=O)(c1cc(C(=O)O)ccc1F)N
Calculated Properties
JChem
Acid pKa
3.9167626
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2101622
LogD (pH = 7.4)
-2.840932
Log P
0.37956142
Molar Refractivity
45.6885
Polarizability
17.904491
Polar Surface Area
97.46
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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