Molecule

ID:18752

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃
Molecular Mass
278.34678
Exact Mass
278.16304257
Charge
0
InChI
InChI=1S/C15H22N2O3/c1-16-5-7-17(8-6-16)9-10-20-14-4-3-13(12-18)11-15(14)19-2/h3-4,11-12H,5-10H2,1-2H3
InChIKey
LWWBHHPHFNSQMV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)C)CCOc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-1.2845109
LogD (pH = 7.4)
0.48491374
Log P
1.2361697
Molar Refractivity
79.6376
Polarizability
30.631914
Polar Surface Area
42.01
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
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Molecule Details
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References
Bioactivity
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