Molecule

ID:53788

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₄S
Molecular Mass
200.21172
Exact Mass
200.01432974
Charge
0
InChI
InChI=1S/C8H8O4S/c1-5(9)12-7-4-13-3-6(7)8(10)11-2/h3-4H,1-2H3
InChIKey
LULQEVLYHKUJHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cscc1OC(=O)C
Isomeric Smiles
O(c1c(C(=O)OC)csc1)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3644257
LogD (pH = 7.4)
1.3644257
Log P
1.3644257
Molar Refractivity
46.3215
Polarizability
17.994081
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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