Molecule

ID:34146

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c14-16(15,11-4-2-1-3-5-11)13-10-6-8-12-9-7-10/h1-5,10,12-13H,6-9H2
InChIKey
GQWDFANHJGRRSL-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)NC1CCNCC1
Isomeric Smiles
c1(S(=O)(=O)NC2CCNCC2)ccccc1
Calculated Properties
JChem
Acid pKa
10.390257
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.772236
LogD (pH = 7.4)
-2.0695043
Log P
-0.028682081
Molar Refractivity
63.269
Polarizability
25.609016
Polar Surface Area
58.2
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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