Molecule

ID:22546

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃S
Molecular Mass
260.30828
Exact Mass
260.05071524
Charge
0
InChI
InChI=1S/C14H12O3S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKey
JYKGJEKCKNHIPG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.154004
LogD (pH = 7.4)
3.154004
Log P
3.154004
Molar Refractivity
71.2154
Polarizability
28.040567
Polar Surface Area
51.21
Rotatable Bonds
3
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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