Molecule

ID:8521

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀S
Molecular Mass
138.23
Exact Mass
138.05032132
Charge
0
InChI
InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey
ABROBCBIIWHVNS-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1S
Isomeric Smiles
c1ccc(c(c1)S)CC
Calculated Properties
JChem
Acid pKa
6.8092523
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.0044396
LogD (pH = 7.4)
2.3937035
Log P
3.0244431
Molar Refractivity
43.71
Polarizability
17.017628
Polar Surface Area
0.0
Rotatable Bonds
1
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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