Molecule

ID:96361

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂OS
Molecular Mass
236.2653632
Exact Mass
236.04196214
Charge
0
InChI
InChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKey
GXDBXDJTVFKURZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1scc(n1)c1ccc(cc1)F
Isomeric Smiles
n1c(scc1c1ccc(cc1)F)CC(=O)N
Calculated Properties
JChem
Acid pKa
14.897634
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0161414
LogD (pH = 7.4)
2.0161664
Log P
2.0161667
Molar Refractivity
58.854
Polarizability
23.611366
Polar Surface Area
55.98
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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