Molecule

ID:8910

General Information
Structure
Molecular Formula
C₈H₈O₃S
Molecular Mass
184.21232
Exact Mass
184.01941512
Charge
0
InChI
InChI=1S/C8H8O3S/c1-2-11-8(10)7(9)6-4-3-5-12-6/h3-5H,2H2,1H3
InChIKey
GHOVLEQTRNXASK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1cccs1
Isomeric Smiles
c1cc(sc1)C(=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1394043
LogD (pH = 7.4)
2.1394043
Log P
2.1394043
Molar Refractivity
44.6633
Polarizability
17.263376
Polar Surface Area
43.37
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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