Molecule

ID:101514

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O₃S
Molecular Mass
292.78228
Exact Mass
292.06484109
Charge
0
InChI
InChI=1S/C11H16N2O3S.ClH/c12-9-10-3-1-2-4-11(10)17(14,15)13-5-7-16-8-6-13;/h1-4H,5-9,12H2;1H
InChIKey
RMMDNVBLYNZQFP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1S(=O)(=O)N1CCOCC1.Cl
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)c1c(CN)cccc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8211477
LogD (pH = 7.4)
-1.2674239
Log P
-0.0661033
Molar Refractivity
65.5572
Polarizability
26.319296
Polar Surface Area
72.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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