Molecule

ID:101691

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄OS
Molecular Mass
186.2348
Exact Mass
186.05753196
Charge
0
InChI
InChI=1S/C6H10N4OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,8)
InChIKey
ZPVDYLQZHMWCDT-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)N1CCOCC1
Isomeric Smiles
c1(sc(nn1)N)N1CCOCC1
Calculated Properties
JChem
Acid pKa
16.225958
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.1773897
LogD (pH = 7.4)
0.17740911
Log P
0.17740937
Molar Refractivity
48.5393
Polarizability
16.975586
Polar Surface Area
64.27
Rotatable Bonds
1
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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