Molecule

ID:50688

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-16-14(12-15)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,16H,7-11H2,1H3
InChIKey
NVTHHBZDNKNEDB-UHFFFAOYSA-N
Canonic Smiles
CNC1(CCN(CC1)Cc1ccccc1)C#N
Isomeric Smiles
N#CC1(CCN(Cc2ccccc2)CC1)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.381923
LogD (pH = 7.4)
0.40886167
Log P
1.3224801
Molar Refractivity
69.8608
Polarizability
27.247574
Polar Surface Area
39.06
Rotatable Bonds
3
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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