Molecule

ID:21930

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃S
Molecular Mass
256.32134
Exact Mass
256.08816338
Charge
0
InChI
InChI=1S/C11H16N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h3-6,10,13H,1-2,7-8,12H2
InChIKey
OJMPLCRVIRCWAV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)NCC1CCCO1
Isomeric Smiles
S(=O)(=O)(NCC1OCCC1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
10.929712
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3923468
LogD (pH = 7.4)
0.39249876
Log P
0.39261574
Molar Refractivity
66.0677
Polarizability
25.950636
Polar Surface Area
81.42
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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