Molecule

ID:47604

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-15(10-11-6-8-16-9-7-11)13-5-3-2-4-12(13)14/h2-5,11H,6-10,14H2,1H3
InChIKey
LLAWRHYEOFIFTB-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1N)CC1CCOCC1
Isomeric Smiles
N(c1c(N)cccc1)(CC1CCOCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4310366
LogD (pH = 7.4)
1.6700641
Log P
1.6741506
Molar Refractivity
68.4805
Polarizability
25.465822
Polar Surface Area
38.49
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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