Molecule

ID:59438

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈OS
Molecular Mass
212.26702
Exact Mass
212.02958588
Charge
0
InChI
InChI=1S/C13H8OS/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H
InChIKey
XESZAOMRYLSHOM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1sc1c2cccc1
Isomeric Smiles
s1c2c(c3c1cccc3)cccc2C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6573558
LogD (pH = 7.4)
3.6573558
Log P
3.6573558
Molar Refractivity
62.2164
Polarizability
26.016365
Polar Surface Area
17.07
Rotatable Bonds
1
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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