Molecule

ID:134151

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄O₂S
Molecular Mass
258.34052
Exact Mass
258.11504684
Charge
0
InChI
InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-/m0/s1
InChIKey
KOZWHQPRAOJMBN-ZKWXMUAHSA-N
Canonic Smiles
NNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Isomeric Smiles
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NN)NC(=O)N2
Calculated Properties
JChem
Acid pKa
12.749984
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-0.78654814
LogD (pH = 7.4)
-0.78402865
Log P
-0.7839947
Molar Refractivity
66.3572
Polarizability
25.801302
Polar Surface Area
96.25
Rotatable Bonds
5
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
References
Bioactivity
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