Molecule

ID:48570

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₄
Molecular Mass
206.28742
Exact Mass
206.1531466
Charge
0
InChI
InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11/h2-3,9H,4-8,12H2,1H3
InChIKey
LEEMWOGHWCDUKR-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCN(CC1)C
Isomeric Smiles
N1(c2ncc(cc2)CN)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.5527887
LogD (pH = 7.4)
-1.802523
Log P
0.4309628
Molar Refractivity
63.1667
Polarizability
23.943327
Polar Surface Area
45.39
Rotatable Bonds
2
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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