Molecule

ID:87591

General Information
Structure
MolImage
Molecular Formula
C₆H₈OS
Molecular Mass
128.19212
Exact Mass
128.02958588
Charge
0
InChI
InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
InChIKey
RESBOJMQOGJOMW-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(o1)C
Isomeric Smiles
o1c(ccc1C)SC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0305607
LogD (pH = 7.4)
2.0305607
Log P
2.0305607
Molar Refractivity
35.7333
Polarizability
13.859383
Polar Surface Area
13.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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