Molecule

ID:13726

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKey
VKALYYFVKBXHTF-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1C)O
Isomeric Smiles
CSc1ccc(cc1C)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.81
LogD (pH = 5.5)
2.81
Log P
2.81
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.53
Polar Surface Area
20.23
Polarizability
16.83
Molar Refractivity
45.84
LOG S
-2.04
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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