Molecule

ID:30172

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂S
Molecular Mass
252.2647632
Exact Mass
252.03687676
Charge
0
InChI
InChI=1S/C11H9FN2O2S/c12-8-3-1-2-4-9(8)14-11-13-7(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKey
GFJBINLPXHJZGC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)Nc1ccccc1F
Isomeric Smiles
c1(nc(CC(=O)O)cs1)Nc1c(F)cccc1
Calculated Properties
JChem
Acid pKa
4.1451926
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4342117
LogD (pH = 7.4)
-0.22125073
Log P
2.6134298
Molar Refractivity
60.3779
Polarizability
22.831266
Polar Surface Area
62.22
Rotatable Bonds
4
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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