Molecule

ID:66945

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂S
Molecular Mass
228.31124
Exact Mass
228.09324876
Charge
0
InChI
InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3
InChIKey
FWNGNMWNTIIKRE-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccccc1N)CC
Isomeric Smiles
c1(c(cccc1)N)S(=O)(=O)N(CC)CC
Calculated Properties
JChem
Acid pKa
17.660908
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.91127676
LogD (pH = 7.4)
0.9113181
Log P
0.91131866
Molar Refractivity
62.2069
Polarizability
24.116724
Polar Surface Area
63.4
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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