Molecule

ID:60411

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
FOWXQMONAFWJAD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1cccs1
Isomeric Smiles
c1(sccc1)CC(=O)C
Calculated Properties
JChem
Acid pKa
13.864011
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.853501
LogD (pH = 7.4)
1.8535008
Log P
1.853501
Molar Refractivity
37.8066
Polarizability
14.579022
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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