Molecule

ID:83204

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₂S
Molecular Mass
240.70596
Exact Mass
240.00117821
Charge
0
InChI
InChI=1S/C11H9ClO2S/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6H,4H2,1H3
InChIKey
JWFDIBIIXZVEBI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1csc2c1cc(Cl)cc2
Isomeric Smiles
s1cc(c2c1ccc(c2)Cl)CC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2369576
LogD (pH = 7.4)
3.2369576
Log P
3.2369576
Molar Refractivity
60.2796
Polarizability
24.647402
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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