Molecule

ID:86285

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂S
Molecular Mass
244.73772
Exact Mass
244.03247834
Charge
0
InChI
InChI=1S/C11H13ClO2S/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
LQTPIEYMBJPFQS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CSc1ccc(cc1)Cl)C
Isomeric Smiles
S(c1ccc(cc1)Cl)CC(C(=O)OC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.505606
LogD (pH = 7.4)
3.505606
Log P
3.505606
Molar Refractivity
63.7985
Polarizability
25.217005
Polar Surface Area
26.3
Rotatable Bonds
5
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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