Molecule

ID:57358

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₂S
Molecular Mass
240.70596
Exact Mass
240.00117821
Charge
0
InChI
InChI=1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
InChIKey
MGACFENQJJMRFI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1Cl)ccc(c2)C
Isomeric Smiles
c1c2c(cc(c1)C)sc(c2Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.102653
LogD (pH = 7.4)
4.102653
Log P
4.102653
Molar Refractivity
61.0535
Polarizability
24.611279
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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