Molecule

ID:5878

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃S
Molecular Mass
208.23372
Exact Mass
208.01941512
Charge
0
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKey
KVBGVZZKJNLNJU-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
S(=O)(=O)(O)c1cc2ccccc2cc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.23
LogD (pH = 5.5)
-0.23
Log P
2.14
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-1.81
Polar Surface Area
54.37
Polarizability
20.12
Molar Refractivity
53.13
LOG S
-3.01
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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