Molecule

ID:31439

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃S
Molecular Mass
244.31064
Exact Mass
244.08816338
Charge
0
InChI
InChI=1S/C10H16N2O3S/c1-7(2)12-16(13,14)8-4-5-10(15-3)9(11)6-8/h4-7,12H,11H2,1-3H3
InChIKey
MWGNOIUGSIAOIL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)S(=O)(=O)NC(C)C
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)OC)N)NC(C)C
Calculated Properties
JChem
Acid pKa
10.509801
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.58935875
LogD (pH = 7.4)
0.589435
Log P
0.5897384
Molar Refractivity
63.4436
Polarizability
24.820217
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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