Molecule

ID:59479

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂
Molecular Mass
206.32718
Exact Mass
206.17829871
Charge
0
InChI
InChI=1S/C13H22N2/c1-11(2)14-9-12-7-5-6-8-13(12)10-15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKey
XAWCSXZFNDOXPA-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1CNC(C)C)C
Isomeric Smiles
c1(CN(C)C)c(CNC(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.024106
LogD (pH = 7.4)
-1.4774574
Log P
2.2463744
Molar Refractivity
67.0161
Polarizability
26.339754
Polar Surface Area
15.27
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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