Molecule

ID:21540

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₂S
Molecular Mass
262.32746
Exact Mass
262.0775987
Charge
0
InChI
InChI=1S/C13H14N2O2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10,14H2
InChIKey
ZHKXBELKPQXYEH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Isomeric Smiles
S(=O)(=O)(NCc1ccccc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
10.923349
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6982037
LogD (pH = 7.4)
1.6983808
Log P
1.6984998
Molar Refractivity
72.4256
Polarizability
28.170616
Polar Surface Area
72.19
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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