Molecule

ID:62160

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-13(2)16(14,15)9-5-3-8-4-6-11(12)10(8)7-9/h3,5,7,11H,4,6,12H2,1-2H3
InChIKey
PQUVGXKEBSUJNZ-UHFFFAOYSA-N
Canonic Smiles
NC1CCc2c1cc(cc2)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(c1cc2c(cc1)CCC2N)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.240379
LogD (pH = 7.4)
-1.0283866
Log P
0.6966214
Molar Refractivity
64.0635
Polarizability
25.527105
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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