Molecule

ID:98460

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)9)13(8,10)11/h2-4H,9H2,1H3
InChIKey
SESLQGPHIQXYGF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)S(=O)(=O)F
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)OC)N)F
Calculated Properties
JChem
Acid pKa
19.577929
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.64528483
LogD (pH = 7.4)
0.6453614
Log P
0.6453624
Molar Refractivity
46.7808
Polarizability
18.002836
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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