Molecule

ID:28258

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₄O₂S₂
Molecular Mass
332.48526
Exact Mass
332.13406803
Charge
0
InChI
InChI=1S/C13H24N4O2S2/c1-3-5-9-17-12(14-15-13(17)20)11-7-6-8-16(10-11)21(18,19)4-2/h11H,3-10H2,1-2H3,(H,15,20)
InChIKey
WIELFPNKUNBQDD-UHFFFAOYSA-N
Canonic Smiles
CCCCn1c(S)nnc1C1CCCN(C1)S(=O)(=O)CC
Isomeric Smiles
n1(c(nnc1S)C1CN(S(=O)(=O)CC)CCC1)CCCC
Calculated Properties
JChem
Acid pKa
7.7694607
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2135864
LogD (pH = 7.4)
1.0683236
Log P
1.2158847
Molar Refractivity
88.24
Polarizability
34.135094
Polar Surface Area
68.09
Rotatable Bonds
5
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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