Molecule

ID:67088

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₂S
Molecular Mass
144.19152
Exact Mass
144.0245005
Charge
0
InChI
InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey
ZUDCKLVMBAXBIF-UHFFFAOYSA-N
Canonic Smiles
COc1cscc1OC
Isomeric Smiles
c1c(c(cs1)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4383452
LogD (pH = 7.4)
1.4383452
Log P
1.4383452
Molar Refractivity
36.0902
Polarizability
14.042903
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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