Molecule

ID:57181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂S
Molecular Mass
206.2609
Exact Mass
206.04015056
Charge
0
InChI
InChI=1S/C11H10O2S/c1-7-3-4-8-9(11(12)13-2)6-14-10(8)5-7/h3-6H,1-2H3
InChIKey
YZALJLQGPRFWEB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1csc2c1ccc(c2)C
Isomeric Smiles
c1cc2c(cc1C)scc2C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.366169
LogD (pH = 7.4)
3.366169
Log P
3.366169
Molar Refractivity
56.4646
Polarizability
22.69146
Polar Surface Area
26.3
Rotatable Bonds
2
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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