Molecule

ID:89464

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey
JZGZKRJVTIRPOK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccs1
Isomeric Smiles
s1cccc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.246412
LogD (pH = 7.4)
2.246412
Log P
2.246412
Molar Refractivity
39.7218
Polarizability
15.300815
Polar Surface Area
26.3
Rotatable Bonds
3
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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