Molecule

ID:61128

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₄OS
Molecular Mass
244.357
Exact Mass
244.13578228
Charge
0
InChI
InChI=1S/C10H20N4OS/c16-10-11-8-14(9-12-10)3-1-2-13-4-6-15-7-5-13/h1-9H2,(H2,11,12,16)
InChIKey
OKEDFZRXTVAZCU-UHFFFAOYSA-N
Canonic Smiles
SC1=NCN(CN1)CCCN1CCOCC1
Isomeric Smiles
N1=C(NCN(C1)CCCN1CCOCC1)S
Calculated Properties
JChem
Acid pKa
7.0848703
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9258238
LogD (pH = 7.4)
0.15603964
Log P
0.040048428
Molar Refractivity
67.2128
Polarizability
26.389416
Polar Surface Area
40.1
Rotatable Bonds
4
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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