Molecule

ID:54253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNOS
Molecular Mass
237.70532
Exact Mass
237.00151256
Charge
0
InChI
InChI=1S/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ZQWZVEKZFVCSNY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc(nc1C)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1sc(c(n1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.111526
LogD (pH = 7.4)
3.111531
Log P
3.111531
Molar Refractivity
71.8583
Polarizability
23.918587
Polar Surface Area
29.96
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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