Molecule

ID:14946

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13/h3-6H,2,7-10,13H2,1H3
InChIKey
LADVCVCLTOOIQU-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1ccccc1N
Isomeric Smiles
c1(N2CCN(CC2)CC)c(cccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0947213
LogD (pH = 7.4)
0.6812624
Log P
1.4562912
Molar Refractivity
65.9857
Polarizability
24.472607
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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