Molecule

ID:81708

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃S
Molecular Mass
186.2282
Exact Mass
186.03506518
Charge
0
InChI
InChI=1S/C8H10O3S/c1-3-11-6-4-5-12-7(6)8(9)10-2/h4-5H,3H2,1-2H3
InChIKey
JAGLXKOXARHKBR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccsc1C(=O)OC
Isomeric Smiles
s1c(c(cc1)OCC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0887408
LogD (pH = 7.4)
2.0887408
Log P
2.0887408
Molar Refractivity
46.185
Polarizability
17.84752
Polar Surface Area
35.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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