Molecule

ID:41996

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈OS
Molecular Mass
188.24562
Exact Mass
188.02958588
Charge
0
InChI
InChI=1S/C11H8OS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-8H
InChIKey
MGPZYZLJJSEFLU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1cscc1
Isomeric Smiles
c1(c2ccc(C=O)cc2)cscc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1134155
LogD (pH = 7.4)
3.1134155
Log P
3.1134155
Molar Refractivity
54.884
Polarizability
21.844358
Polar Surface Area
17.07
Rotatable Bonds
2
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
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References
Bioactivity
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