Molecule

ID:13563

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O₃
Molecular Mass
282.37854
Exact Mass
282.1943427
Charge
0
InChI
InChI=1S/C15H26N2O3/c1-17(2)10-6-9-16-11-12-7-8-13(18-3)15(20-5)14(12)19-4/h7-8,16H,6,9-11H2,1-5H3
InChIKey
HZCFOTZCGAVWJC-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCCN(C)C)ccc(c1OC)OC
Isomeric Smiles
c1c(c(c(c(c1)CNCCCN(C)C)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.8330686
LogD (pH = 7.4)
-1.38913
Log P
1.1371851
Molar Refractivity
81.5801
Polarizability
31.98149
Polar Surface Area
42.96
Rotatable Bonds
9
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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