Molecule

ID:29149

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-3-8-13-9-10-15-12-6-4-11(14-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChIKey
QLPHHQSVUMGFJN-UHFFFAOYSA-N
Canonic Smiles
CCCNCCOc1ccc(cc1)OC
Isomeric Smiles
c1(ccc(cc1)OCCNCCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0287756
LogD (pH = 7.4)
-0.12901732
Log P
2.17283
Molar Refractivity
60.9814
Polarizability
24.25847
Polar Surface Area
30.49
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
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Molecule Details
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References
Bioactivity
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