Molecule

ID:117119

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂S₂
Molecular Mass
269.383
Exact Mass
269.05442073
Charge
0
InChI
InChI=1S/C12H15NO2S2/c1-10-2-4-11(5-3-10)17(14,15)13-6-12(7-13)8-16-9-12/h2-5H,6-9H2,1H3
InChIKey
BWJOGTHPNZKDLU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N1CC2(C1)CSC2
Isomeric Smiles
S(=O)(=O)(N1CC2(C1)CSC2)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8917954
LogD (pH = 7.4)
1.8917954
Log P
1.8917954
Molar Refractivity
70.7231
Polarizability
28.18467
Polar Surface Area
37.38
Rotatable Bonds
1
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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