Molecule

ID:71320

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c1-8(13)11-9-4-6-10(7-5-9)16(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
ZABKTFBXRPVLAO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(NC(=O)C)cc1)N(C)C
Calculated Properties
JChem
Acid pKa
13.480418
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2643391
LogD (pH = 7.4)
0.26433873
Log P
0.2643391
Molar Refractivity
62.8723
Polarizability
24.207478
Polar Surface Area
66.48
Rotatable Bonds
2
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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