Molecule

ID:89159

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀OS
Molecular Mass
154.2294
Exact Mass
154.04523594
Charge
0
InChI
InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChIKey
RTJMJGJLVSKSEB-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)S
Isomeric Smiles
Sc1cc(ccc1)OCC
Calculated Properties
JChem
Acid pKa
6.258269
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1985767
LogD (pH = 7.4)
1.2752692
Log P
2.2655897
Molar Refractivity
45.2796
Polarizability
17.734617
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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