Molecule

ID:31591

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
NITKDGDSVDJQFD-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)c1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.403903
LogD (pH = 7.4)
-1.3008076
Log P
0.55819464
Molar Refractivity
64.0237
Polarizability
25.60407
Polar Surface Area
63.4
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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