Molecule

ID:21530

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃S
Molecular Mass
292.35344
Exact Mass
292.08816338
Charge
0
InChI
InChI=1S/C14H16N2O3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2,15H2,1H3
InChIKey
SBPXTHAKRLEODG-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(Nc1ccc(cc1)OCC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.688834
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8306488
LogD (pH = 7.4)
1.8118806
Log P
1.8311218
Molar Refractivity
78.8024
Polarizability
30.692604
Polar Surface Area
81.42
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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