Molecule

ID:48439

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-14-5-7-15(8-6-14)11-10(9-12)3-2-4-13-11/h2-4H,5-9,12H2,1H3
InChIKey
LUCQKISFLSLQBI-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N1CCN(CC1)C
Isomeric Smiles
c1(N2CCN(CC2)C)c(CN)cccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.294545
LogD (pH = 7.4)
-1.2199599
Log P
0.4309628
Molar Refractivity
63.1667
Polarizability
23.943546
Polar Surface Area
45.39
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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