Molecule

ID:57086

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₄
Molecular Mass
232.3247
Exact Mass
232.16879666
Charge
0
InChI
InChI=1S/C13H20N4/c1-3-16(4-2)9-10-17-12-8-6-5-7-11(12)15-13(17)14/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKey
LNQFKLQTSNFJIH-UHFFFAOYSA-N
Canonic Smiles
CCN(CCn1c(N)nc2c1cccc2)CC
Isomeric Smiles
c1ccc2n(c(nc2c1)N)CCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5935376
LogD (pH = 7.4)
-0.44574538
Log P
2.0707645
Molar Refractivity
71.5552
Polarizability
28.31657
Polar Surface Area
47.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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