Molecule

ID:35151

General Information
Structure
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h1,3,8,13H,2,4-7,9-11H2
InChIKey
ILBCZZMPZQMCOJ-UHFFFAOYSA-N
Canonic Smiles
C(NCc1ccco1)CCN1CCOCC1
Isomeric Smiles
N1(CCCNCc2occc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0524619
LogD (pH = 7.4)
-0.82316357
Log P
0.4519451
Molar Refractivity
63.6559
Polarizability
24.937061
Polar Surface Area
37.64
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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