Molecule

ID:54380

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₂S
Molecular Mass
286.38862
Exact Mass
286.10275082
Charge
0
InChI
InChI=1S/C17H18O2S/c1-2-19-16(18)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
InChIKey
USHWCUHXXAVVLF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSC(c1ccccc1)c1ccccc1
Isomeric Smiles
S(C(c1ccccc1)c1ccccc1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1940885
LogD (pH = 7.4)
4.1940885
Log P
4.1940885
Molar Refractivity
83.6354
Polarizability
32.97468
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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