Molecule

ID:11355

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-2-15-12-7-5-11(6-8-12)13-9-3-4-10-14/h5-8,13-14H,2-4,9-10H2,1H3
InChIKey
XIJLICADXUMRDT-UHFFFAOYSA-N
Canonic Smiles
OCCCCNc1ccc(cc1)OCC
Isomeric Smiles
c1(NCCCCO)ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
15.972559
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8300932
LogD (pH = 7.4)
1.5106086
Log P
1.532381
Molar Refractivity
63.2659
Polarizability
23.810596
Polar Surface Area
41.49
Rotatable Bonds
7
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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