Molecule

ID:13335

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₃
Molecular Mass
294.38924
Exact Mass
294.1943427
Charge
0
InChI
InChI=1S/C16H26N2O3/c1-19-15-5-4-14(16(12-15)20-2)13-17-6-3-7-18-8-10-21-11-9-18/h4-5,12,17H,3,6-11,13H2,1-2H3
InChIKey
QZMCJUMHUCXMBJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CNCCCN1CCOCC1
Isomeric Smiles
c1(c(CNCCCN2CCOCC2)ccc(c1)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.7334292
LogD (pH = 7.4)
-0.73580223
Log P
1.0763559
Molar Refractivity
84.1914
Polarizability
33.107502
Polar Surface Area
42.96
Rotatable Bonds
8
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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