Molecule

ID:113867

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂S
Molecular Mass
253.70472
Exact Mass
252.99642718
Charge
0
InChI
InChI=1S/C11H8ClNO2S/c12-10-9(7-14)16-11(15)13(10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
MCIMMWBPHJTTOM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(=O)n(c1Cl)Cc1ccccc1
Isomeric Smiles
n1(c(=O)sc(c1Cl)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.529185
LogD (pH = 7.4)
2.529185
Log P
2.529185
Molar Refractivity
75.5775
Polarizability
24.830156
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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