Molecule

ID:83138

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9,12H2
InChIKey
TZMCILRCGMFRJC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CN1CCS(=O)(=O)CC1
Isomeric Smiles
S1(=O)(=O)CCN(CC1)Cc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.277595
LogD (pH = 7.4)
-0.25423247
Log P
-0.25392658
Molar Refractivity
64.9029
Polarizability
25.64838
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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