Molecule

ID:69237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈OS₃
Molecular Mass
240.36492
Exact Mass
239.97372788
Charge
0
InChI
InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
InChIKey
KYLIZBIRMBGUOP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ssc(=S)c1
Isomeric Smiles
s1sc(=S)cc1c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.286604
LogD (pH = 7.4)
3.286604
Log P
3.286604
Molar Refractivity
70.1509
Polarizability
27.120586
Polar Surface Area
9.23
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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