Molecule

ID:19274

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-16-13-5-3-2-4-11(13)12(10-14)15-6-8-17-9-7-15/h2-5,12H,6-10,14H2,1H3
InChIKey
LLHJMZDWRQDJAN-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1OC)N1CCOCC1
Isomeric Smiles
c1(C(N2CCOCC2)CN)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0994318
LogD (pH = 7.4)
-0.6740782
Log P
0.80125415
Molar Refractivity
67.7584
Polarizability
26.90791
Polar Surface Area
47.72
Rotatable Bonds
4
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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