Molecule

ID:70738

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂S
Molecular Mass
170.2288
Exact Mass
170.04015056
Charge
0
InChI
InChI=1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3
InChIKey
GNOBQWZOPPOTMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccsc1C
Isomeric Smiles
c1(c(ccs1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7598336
LogD (pH = 7.4)
2.7598336
Log P
2.7598336
Molar Refractivity
44.994
Polarizability
17.049543
Polar Surface Area
26.3
Rotatable Bonds
3
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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