Molecule

ID:14911

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14-8-6-12/h5-8,13,15H,2-4,9-11H2,1H3
InChIKey
DGPJTESPWRLSFV-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccncc1
Isomeric Smiles
C1(N(CCC1)CC)CNCc1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4468954
LogD (pH = 7.4)
-1.0039274
Log P
1.1549392
Molar Refractivity
67.128
Polarizability
26.508976
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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