Molecule

ID:118376

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-2-16(14,15)13-7-3-4-9-5-6-10(12)8-11(9)13/h5-6,8H,2-4,7,12H2,1H3
InChIKey
WGHRGTCIVZHSGO-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCCc2c1cc(N)cc2
Isomeric Smiles
S(=O)(=O)(N1c2cc(N)ccc2CCC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7128581
LogD (pH = 7.4)
0.7343089
Log P
0.73458946
Molar Refractivity
65.1213
Polarizability
25.258715
Polar Surface Area
63.4
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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