Molecule

ID:59313

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₂
Molecular Mass
212.2887
Exact Mass
212.15247789
Charge
0
InChI
InChI=1S/C11H20N2O2/c1-5-14-11(15-6-2)8-13-10(4)7-9(3)12-13/h7,11H,5-6,8H2,1-4H3
InChIKey
UADNAQKXUCTGGS-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1nc(cc1C)C)OCC
Isomeric Smiles
n1(nc(cc1C)C)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6748328
LogD (pH = 7.4)
1.6775457
Log P
1.6775804
Molar Refractivity
71.0244
Polarizability
23.020235
Polar Surface Area
36.28
Rotatable Bonds
6
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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