Molecule

ID:90242

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₂S
Molecular Mass
262.32746
Exact Mass
262.0775987
Charge
0
InChI
InChI=1S/C13H14N2O2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10,14H2
InChIKey
BUBJRDZLVJJKLT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)NCc1ccccc1
Isomeric Smiles
N(S(=O)(=O)c1cccc(c1)N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
10.2453575
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6981565
LogD (pH = 7.4)
1.6979467
Log P
1.6984998
Molar Refractivity
72.4256
Polarizability
28.171457
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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