Molecule

ID:14360

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂S
Molecular Mass
239.67814
Exact Mass
238.98077712
Charge
0
InChI
InChI=1S/C10H6ClNO2S/c11-9-6(10(13)14)3-4-7(12-9)8-2-1-5-15-8/h1-5H,(H,13,14)
InChIKey
AVAOMYBVOCRWAW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1Cl)c1cccs1
Isomeric Smiles
c1(c2cccs2)nc(c(cc1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.616188
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1678553
LogD (pH = 7.4)
-0.28972262
Log P
3.047602
Molar Refractivity
58.6775
Polarizability
23.353441
Polar Surface Area
50.19
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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