Molecule

ID:81664

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-5-3-6(10-4-5)7(8)9-2/h3-4H,1-2H3
InChIKey
YUJMWNYIBNSQPL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scc(c1)C
Isomeric Smiles
s1c(cc(c1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4030256
LogD (pH = 7.4)
2.4030256
Log P
2.4030256
Molar Refractivity
40.0144
Polarizability
15.221066
Polar Surface Area
26.3
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
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References
Bioactivity
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