Molecule

ID:26761

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂OS
Molecular Mass
236.2653632
Exact Mass
236.04196214
Charge
0
InChI
InChI=1S/C11H9FN2OS/c12-8-3-1-2-4-9(8)14-11(15)7-5-6-16-10(7)13/h1-6H,13H2,(H,14,15)
InChIKey
SCJDSQKLUAMCRD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1NC(=O)c1ccsc1N
Isomeric Smiles
c1(C(=O)Nc2c(F)cccc2)c(scc1)N
Calculated Properties
JChem
Acid pKa
9.71095
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9753177
LogD (pH = 7.4)
2.973333
Log P
2.9753444
Molar Refractivity
62.774
Polarizability
22.462677
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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