Molecule

ID:77084

General Information
Structure
MolImage
Molecular Formula
C₆H₈OS
Molecular Mass
128.19212
Exact Mass
128.02958588
Charge
0
InChI
InChI=1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
InChIKey
YYPNNBPPDFTQFX-UHFFFAOYSA-N
Canonic Smiles
OCCc1cscc1
Isomeric Smiles
OCCc1cscc1
Calculated Properties
JChem
Acid pKa
15.800439
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2749993
LogD (pH = 7.4)
1.2749993
Log P
1.2749993
Molar Refractivity
34.7347
Polarizability
13.205688
Polar Surface Area
20.23
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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