Molecule

ID:110799

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂S
Molecular Mass
294.45368
Exact Mass
294.1442217
Charge
0
InChI
InChI=1S/C20H22S/c1-15(2)13-17-9-5-7-11-19(17)21-20-12-8-6-10-18(20)14-16(3)4/h5-12H,1,3,13-14H2,2,4H3
InChIKey
ZDCGXIGIYMYNOP-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccccc1Sc1ccccc1CC(=C)C
Isomeric Smiles
CC(=C)Cc1ccccc1Sc1ccccc1CC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.845859
LogD (pH = 7.4)
6.845859
Log P
6.845859
Molar Refractivity
95.8807
Polarizability
37.357906
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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