Molecule

ID:94950

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₂S
Molecular Mass
189.2073232
Exact Mass
189.02597772
Charge
0
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChIKey
SAWQEMZHEXISDY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)S(=O)(=O)C)F
Isomeric Smiles
S(=O)(=O)(c1c(ccc(c1)N)F)C
Calculated Properties
JChem
Acid pKa
19.543743
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1271594
LogD (pH = 7.4)
0.12732819
Log P
0.12733035
Molar Refractivity
44.9784
Polarizability
17.216614
Polar Surface Area
60.16
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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