Molecule

ID:59099

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O₂S
Molecular Mass
257.35246
Exact Mass
257.11979786
Charge
0
InChI
InChI=1S/C11H19N3O2S/c1-10(2)14-17(15,16)7-6-13-9-11-4-3-5-12-8-11/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKey
RIAZOZWXBKUYEG-UHFFFAOYSA-N
Canonic Smiles
CC(NS(=O)(=O)CCNCc1cccnc1)C
Isomeric Smiles
S(=O)(=O)(NC(C)C)CCNCc1cnccc1
Calculated Properties
JChem
Acid pKa
11.923734
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.5876808
LogD (pH = 7.4)
-0.8613993
Log P
-0.24360397
Molar Refractivity
67.4349
Polarizability
27.3215
Polar Surface Area
71.09
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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