Molecule

ID:83195

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₂S
Molecular Mass
166.19704
Exact Mass
166.00885043
Charge
0
InChI
InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
InChIKey
FRJNKYGTHPUSJR-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)C=Cc2c1cccc2
Isomeric Smiles
S1(=O)(=O)C=Cc2c1cccc2
Calculated Properties
JChem
Acid pKa
18.904964
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1757954
LogD (pH = 7.4)
1.1757954
Log P
1.1757954
Molar Refractivity
43.3087
Polarizability
17.249784
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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