Molecule

ID:8789

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂S
Molecular Mass
170.2288
Exact Mass
170.04015056
Charge
0
InChI
InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
VBQUDDWATQWCPP-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)S(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3225515
LogD (pH = 7.4)
1.3225515
Log P
1.3225515
Molar Refractivity
44.7272
Polarizability
18.1461
Polar Surface Area
34.14
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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