Molecule

ID:87088

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈OS
Molecular Mass
188.24562
Exact Mass
188.02958588
Charge
0
InChI
InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChIKey
DWYFUJJWTRPARQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)c1ccccc1
Isomeric Smiles
s1c(ccc1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3454802
LogD (pH = 7.4)
3.3454802
Log P
3.3454802
Molar Refractivity
53.5234
Polarizability
20.64111
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
References
Bioactivity
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