Molecule

ID:43562

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₂S
Molecular Mass
189.2073232
Exact Mass
189.02597772
Charge
0
InChI
InChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
RDRBNXNITJCMPV-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)F)NC
Calculated Properties
JChem
Acid pKa
9.770183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.94563395
LogD (pH = 7.4)
0.9440178
Log P
0.9456546
Molar Refractivity
43.329
Polarizability
17.209482
Polar Surface Area
46.17
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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