Molecule

ID:62608

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)15-6-3-10(4-7-15)8-11-2-5-14-12(13)9-11/h2,5,9-10H,3-4,6-8H2,1H3
InChIKey
LXWYXFBXVKBUEU-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CC1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(Cc2cc(ncc2)Cl)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2343317
LogD (pH = 7.4)
1.234409
Log P
1.2344099
Molar Refractivity
72.9561
Polarizability
28.803501
Polar Surface Area
50.27
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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