Molecule

ID:14848

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₃
Molecular Mass
280.36266
Exact Mass
280.17869264
Charge
0
InChI
InChI=1S/C15H24N2O3/c1-18-14-3-4-15(19-2)13(11-14)12-16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,5-10,12H2,1-2H3
InChIKey
RKLNMSOXXDGWNG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CNCCN1CCOCC1)OC
Isomeric Smiles
c1(c(ccc(c1)OC)OC)CNCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9005412
LogD (pH = 7.4)
-0.23656844
Log P
1.0163962
Molar Refractivity
79.326
Polarizability
31.265074
Polar Surface Area
42.96
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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