Molecule

ID:17942

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₂S
Molecular Mass
237.2501232
Exact Mass
237.02597772
Charge
0
InChI
InChI=1S/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
PWDGGEJDPBDIAY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)c1ccccc1F
Isomeric Smiles
c1(c2nc(cs2)CC(=O)O)c(cccc1)F
Calculated Properties
JChem
Acid pKa
4.2782435
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5741262
LogD (pH = 7.4)
-0.15853614
Log P
2.8231094
Molar Refractivity
67.52
Polarizability
22.313082
Polar Surface Area
50.19
Rotatable Bonds
3
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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