Molecule

ID:45388

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂OS
Molecular Mass
236.2653632
Exact Mass
236.04196214
Charge
0
InChI
InChI=1S/C11H9FN2OS/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKey
HWGUYVXRNCYRPB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1cccs1)F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1sccc1
Calculated Properties
JChem
Acid pKa
9.721554
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2884881
LogD (pH = 7.4)
2.2897646
Log P
2.2917879
Molar Refractivity
63.3982
Polarizability
22.47286
Polar Surface Area
55.12
Rotatable Bonds
2
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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