Molecule

ID:34560

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
InChIKey
JKYZVBQALRYBKE-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
C1C(CCN(C1)S(=O)(=O)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7799513
LogD (pH = 7.4)
-2.2096188
Log P
0.23780651
Molar Refractivity
63.3911
Polarizability
25.608852
Polar Surface Area
63.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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