Molecule

ID:16651

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₃S
Molecular Mass
290.7664
Exact Mass
290.04919103
Charge
0
InChI
InChI=1S/C11H15ClN2O3S/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
AROSEUNOEYMHLM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)N1CCNCC1)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OC)S(=O)(=O)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.72457
LogD (pH = 7.4)
0.73848337
Log P
0.93707377
Molar Refractivity
70.0327
Polarizability
28.226732
Polar Surface Area
58.64
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
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Molecule Details
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References
Bioactivity
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