Molecule

ID:111305

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₉N₅
Molecular Mass
349.55716
Exact Mass
349.32054627
Charge
0
InChI
InChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25)
InChIKey
YZVJFFKAKLWXOE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCc1nc(N)nc(n1)N
Isomeric Smiles
CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
Calculated Properties
JChem
Acid pKa
15.7950945
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
5.6237063
LogD (pH = 7.4)
6.8223863
Log P
6.9540186
Molar Refractivity
110.0807
Polarizability
41.159603
Polar Surface Area
90.71
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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