Molecule

ID:62743

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O₂S
Molecular Mass
289.78164
Exact Mass
289.06517545
Charge
0
InChI
InChI=1S/C11H16ClN3O2S/c1-18(16,17)15-6-4-9(5-7-15)8-10-2-3-11(12)14-13-10/h2-3,9H,4-8H2,1H3
InChIKey
ALRHQMAUIDVTTD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)CC1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(Cc2nnc(Cl)cc2)CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.12852652
LogD (pH = 7.4)
0.12855555
Log P
0.12855592
Molar Refractivity
72.3956
Polarizability
27.977972
Polar Surface Area
63.16
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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