Molecule

ID:117556

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₅O
Molecular Mass
261.32286
Exact Mass
261.15896025
Charge
0
InChI
InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16)
InChIKey
MSILSEAASITEGZ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(cc1)N1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(NC(=N)N)cc2)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.293397
LogD (pH = 7.4)
-2.2261095
Log P
0.1292966
Molar Refractivity
86.9417
Polarizability
27.843643
Polar Surface Area
85.45
Rotatable Bonds
2
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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