Molecule

ID:13564

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O₃
Molecular Mass
282.37854
Exact Mass
282.1943427
Charge
0
InChI
InChI=1S/C15H26N2O3/c1-17(2)8-6-7-16-11-12-9-13(18-3)15(20-5)14(10-12)19-4/h9-10,16H,6-8,11H2,1-5H3
InChIKey
UEQSXXIWIFDWFA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCCN(C)C)cc(c1OC)OC
Isomeric Smiles
c1(c(c(cc(c1)CNCCCN(C)C)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.0842247
LogD (pH = 7.4)
-1.6101838
Log P
1.1371851
Molar Refractivity
81.5801
Polarizability
31.981281
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
Molecule Details
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References
Bioactivity
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