Molecule

ID:78206

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂S
Molecular Mass
142.17564
Exact Mass
142.00885043
Charge
0
InChI
InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2
InChIKey
GKWLILHTTGWKLQ-UHFFFAOYSA-N
Canonic Smiles
C1COc2c(O1)csc2
Isomeric Smiles
s1cc2c(c1)OCCO2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2668203
LogD (pH = 7.4)
1.2668203
Log P
1.2668203
Molar Refractivity
34.1212
Polarizability
13.334843
Polar Surface Area
18.46
Rotatable Bonds
0
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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