Molecule

ID:86960

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀S
Molecular Mass
138.23
Exact Mass
138.05032132
Charge
0
InChI
InChI=1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey
AGFYZLVFPSGUIX-UHFFFAOYSA-N
Canonic Smiles
SCc1ccc(cc1)C
Isomeric Smiles
SCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
9.931178
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.970672
LogD (pH = 7.4)
2.9695024
Log P
2.970687
Molar Refractivity
43.9437
Polarizability
17.032324
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
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References
Bioactivity
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