Molecule

ID:102768

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃S
Molecular Mass
276.31098
Exact Mass
276.05686325
Charge
0
InChI
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey
PBCZLFBEBARBBI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
Isomeric Smiles
Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.65
LogD (pH = 5.5)
0.82
Log P
1.59
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.32
Polar Surface Area
89.26
Polarizability
27.32
Molar Refractivity
73.15
LOG S
-3.45
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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