Molecule

ID:53307

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂S
Molecular Mass
206.2609
Exact Mass
206.04015056
Charge
0
InChI
InChI=1S/C11H10O2S/c1-2-13-11(12)9-5-3-4-8-6-7-14-10(8)9/h3-7H,2H2,1H3
InChIKey
KVTZSCYPOQMXTO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc2c1scc2
Isomeric Smiles
c1cc(c2c(c1)ccs2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2095556
LogD (pH = 7.4)
3.2095556
Log P
3.2095556
Molar Refractivity
56.172
Polarizability
22.761078
Polar Surface Area
26.3
Rotatable Bonds
3
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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