Molecule

ID:82376

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂S
Molecular Mass
230.71114
Exact Mass
230.01682827
Charge
0
InChI
InChI=1S/C10H11ClO2S/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKey
ZXXZYFJTEHVGQY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1ccc(cc1)Cl
Isomeric Smiles
S(c1ccc(cc1)Cl)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.874859
LogD (pH = 7.4)
2.874859
Log P
2.874859
Molar Refractivity
59.3716
Polarizability
23.382957
Polar Surface Area
26.3
Rotatable Bonds
5
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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