Molecule

ID:89074

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃S
Molecular Mass
274.33486
Exact Mass
274.06636531
Charge
0
InChI
InChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
RFQXSRPFYWMUDV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)CC(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.002315
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5227576
LogD (pH = 7.4)
0.2626078
Log P
3.0157657
Molar Refractivity
74.7555
Polarizability
29.554415
Polar Surface Area
51.21
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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