Molecule

ID:39622

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄S
Molecular Mass
305.3489
Exact Mass
305.07217897
Charge
0
InChI
InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)
InChIKey
LIZVXGBYTGTTTI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)c1ccccc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.2261276
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.47806808
LogD (pH = 7.4)
-0.71034473
Log P
2.7307868
Molar Refractivity
78.5963
Polarizability
31.172369
Polar Surface Area
83.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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