Molecule

ID:25202

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₀OS
Molecular Mass
368.4907
Exact Mass
368.12348626
Charge
0
InChI
InChI=1S/C25H20OS/c26-18-23-17-22(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)27-25(23)21-14-8-3-9-15-21/h1-15,17-18,24H,16H2
InChIKey
SFSKQPYRTXDREW-UHFFFAOYSA-N
Canonic Smiles
O=CC1=C(SC(C(=C1)Cc1ccccc1)c1ccccc1)c1ccccc1
Isomeric Smiles
S1C(=C(C=C(C1c1ccccc1)Cc1ccccc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.683437
LogD (pH = 7.4)
5.683437
Log P
5.683437
Molar Refractivity
116.3531
Polarizability
44.527763
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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