Molecule

ID:18360

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂S
Molecular Mass
218.2716
Exact Mass
218.04015056
Charge
0
InChI
InChI=1S/C12H10O2S/c13-8-10-3-5-11(6-4-10)14-9-12-2-1-7-15-12/h1-8H,9H2
InChIKey
SJILVQWRIRLHLC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1cccs1
Isomeric Smiles
s1c(ccc1)COc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1654315
LogD (pH = 7.4)
3.1654315
Log P
3.1654315
Molar Refractivity
60.6077
Polarizability
22.982471
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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