Molecule

ID:81379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃S
Molecular Mass
260.30828
Exact Mass
260.05071524
Charge
0
InChI
InChI=1S/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
FGFHDNIGKVTTLC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C(=O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.662419
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.485728
LogD (pH = 7.4)
2.485728
Log P
2.485728
Molar Refractivity
69.993
Polarizability
28.116774
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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