Molecule

ID:14910

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-2-16-8-4-6-13(16)11-15-10-12-5-3-7-14-9-12/h3,5,7,9,13,15H,2,4,6,8,10-11H2,1H3
InChIKey
LOMXQNKDBFAGGB-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1cccnc1
Isomeric Smiles
C1(N(CCC1)CC)CNCc1cccnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.387787
LogD (pH = 7.4)
-0.9288513
Log P
1.1549392
Molar Refractivity
67.128
Polarizability
26.509237
Polar Surface Area
28.16
Rotatable Bonds
5
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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