Molecule

ID:9800

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀S
Molecular Mass
138.23
Exact Mass
138.05032132
Charge
0
InChI
InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey
VHILIAIEEYLJNA-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)C
Isomeric Smiles
CSc1ccc(cc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.11
LogD (pH = 5.5)
3.11
Log P
3.11
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
16.10
Molar Refractivity
43.86
LOG S
-2.65
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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