Molecule

ID:13724

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKey
IWVQVOXDIOKVBE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)SC
Isomeric Smiles
c1cc(cc(c1)SC)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4437916
LogD (pH = 7.4)
2.4437916
Log P
2.4437916
Molar Refractivity
45.2801
Polarizability
17.736742
Polar Surface Area
9.23
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
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References
Bioactivity
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