Molecule

ID:22183

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂S
Molecular Mass
288.79358
Exact Mass
288.06992647
Charge
0
InChI
InChI=1S/C12H17ClN2O2S/c1-9-7-11(15-5-3-14-4-6-15)10(13)8-12(9)18(2,16)17/h7-8,14H,3-6H2,1-2H3
InChIKey
CXWYOIWVCHEFMO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(c(cc1N1CCNCC1)C)S(=O)(=O)C
Isomeric Smiles
c1(cc(c(cc1C)N1CCNCC1)Cl)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.7511
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3518729
LogD (pH = 7.4)
0.29566744
Log P
1.5031359
Molar Refractivity
75.0916
Polarizability
29.276361
Polar Surface Area
49.41
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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