Molecule

ID:13959

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)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKey
LTFVELCIFWEGGA-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(cc1)N)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.91098034
LogD (pH = 7.4)
0.9113144
Log P
0.91131866
Molar Refractivity
62.2069
Polarizability
24.114225
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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