Molecule

ID:77010

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃
Molecular Mass
217.31006
Exact Mass
217.15789762
Charge
0
InChI
InChI=1S/C13H19N3/c14-11-1-3-12(4-2-11)15-7-9-16(10-8-15)13-5-6-13/h1-4,13H,5-10,14H2
InChIKey
BNJJOUMQLDDFMK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C1CC1
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(C2CC2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.28496
LogD (pH = 7.4)
0.78516406
Log P
1.5650479
Molar Refractivity
68.4483
Polarizability
25.579807
Polar Surface Area
32.5
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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