Molecule

ID:91091

General Information
Structure
Molecular Formula
C₁₃H₈OS
Molecular Mass
212.26702
Exact Mass
212.02958588
Charge
0
InChI
InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
YRHRIQCWCFGUEQ-UHFFFAOYSA-N
Canonic Smiles
O=c1c2ccccc2sc2c1cccc2
Isomeric Smiles
s1c2ccccc2c(=O)c2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6481025
LogD (pH = 7.4)
3.6481025
Log P
3.6481025
Molar Refractivity
63.2596
Polarizability
24.312117
Polar Surface Area
17.07
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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