Molecule

ID:5841

General Information
Structure
Molecular Formula
C₁₀H₁₉N₅S
Molecular Mass
241.35636
Exact Mass
241.13611663
Charge
0
InChI
InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKey
IROINLKCQGIITA-UHFFFAOYSA-N
Canonic Smiles
CCNc1nc(SC)nc(n1)NC(C)(C)C
Isomeric Smiles
n1c(SC)nc(NC(C)(C)C)nc1NCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.80
LogD (pH = 5.5)
1.71
Log P
2.88
Rotatable Bonds
5
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
6.72
Polar Surface Area
62.73
Polarizability
27.19
Molar Refractivity
74.06
LOG S
-3.83
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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