Molecule

ID:86937

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂S
Molecular Mass
142.17564
Exact Mass
142.00885043
Charge
0
InChI
InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey
PGBFYLVIMDQYMS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccs1
Isomeric Smiles
s1c(ccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8896042
LogD (pH = 7.4)
1.8896042
Log P
1.8896042
Molar Refractivity
34.9732
Polarizability
13.474658
Polar Surface Area
26.3
Rotatable Bonds
2
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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