Molecule

ID:62612

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂S
Molecular Mass
288.79358
Exact Mass
288.06992647
Charge
0
InChI
InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-9-3-5-11(15)7-6-10-4-2-8-14-12(10)13/h2,4,8,11H,3,5-7,9H2,1H3
InChIKey
AOARZZONOOPPIF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1CCC1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2c(nccc2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4419065
LogD (pH = 7.4)
1.4419194
Log P
1.4419196
Molar Refractivity
72.7493
Polarizability
28.879614
Polar Surface Area
50.27
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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