Molecule

ID:78050

General Information
Structure
Molecular Formula
C₁₂H₁₀O₂S
Molecular Mass
218.2716
Exact Mass
218.04015056
Charge
0
InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.93
LogD (pH = 5.5)
2.93
Log P
2.93
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
34.14
Polarizability
22.05
Molar Refractivity
59.59
LOG S
-3.26
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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