Molecule

ID:41499

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄OS
Molecular Mass
194.29326
Exact Mass
194.07653607
Charge
0
InChI
InChI=1S/C11H14OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey
RRXBEPPOMHZDBO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)SC(C)(C)C
Isomeric Smiles
c1c(ccc(c1)SC(C)(C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.056591
LogD (pH = 7.4)
3.056591
Log P
3.056591
Molar Refractivity
59.3541
Polarizability
22.645037
Polar Surface Area
17.07
Rotatable Bonds
3
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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