Molecule

ID:14156

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃S
Molecular Mass
252.28958
Exact Mass
252.05686325
Charge
0
InChI
InChI=1S/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2
InChIKey
GDZYTNDTKOAWSN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NCc1ccco1
Isomeric Smiles
S(=O)(=O)(NCc1occc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
10.916843
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7585508
LogD (pH = 7.4)
0.758627
Log P
0.75874645
Molar Refractivity
64.8165
Polarizability
25.079458
Polar Surface Area
85.33
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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