Molecule

ID:66946

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c11-9-5-1-2-6-10(9)15(13,14)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
InChIKey
AMFUKILZHOHKOZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1S(=O)(=O)N1CCCC1
Isomeric Smiles
N1(CCCC1)S(=O)(=O)c1c(cccc1)N
Calculated Properties
JChem
Acid pKa
17.66029
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.60346246
LogD (pH = 7.4)
0.60349977
Log P
0.60350025
Molar Refractivity
60.2507
Polarizability
23.396336
Polar Surface Area
63.4
Rotatable Bonds
1
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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