Molecule

ID:35349

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃S
Molecular Mass
292.35344
Exact Mass
292.08816338
Charge
0
InChI
InChI=1S/C14H16N2O3S/c1-10-3-8-14(19-2)13(9-10)16-20(17,18)12-6-4-11(15)5-7-12/h3-9,16H,15H2,1-2H3
InChIKey
RJUISLNBSBIYHN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)N)C
Isomeric Smiles
S(=O)(=O)(Nc1c(ccc(c1)C)OC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
7.5392385
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9840394
LogD (pH = 7.4)
1.7852974
Log P
1.9877353
Molar Refractivity
79.095
Polarizability
30.618647
Polar Surface Area
81.42
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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