Molecule

ID:136363

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀OS
Molecular Mass
166.2401
Exact Mass
166.04523594
Charge
0
InChI
InChI=1S/C9H10OS/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9H,6-7H2
InChIKey
JSFDYQHJQCJHHX-UHFFFAOYSA-N
Canonic Smiles
O1CC(C1)Sc1ccccc1
Isomeric Smiles
c1ccc(cc1)SC1COC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.042869
LogD (pH = 7.4)
2.042869
Log P
2.042869
Molar Refractivity
47.7922
Polarizability
18.864395
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
References
Bioactivity
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