Molecule

ID:14847

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₃
Molecular Mass
280.36266
Exact Mass
280.17869264
Charge
0
InChI
InChI=1S/C15H24N2O3/c1-18-14-5-3-4-13(15(14)19-2)12-16-6-7-17-8-10-20-11-9-17/h3-5,16H,6-12H2,1-2H3
InChIKey
PWDBRIPQWHRONA-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCN2CCOCC2)cccc1OC
Isomeric Smiles
c1(c(c(ccc1)OC)OC)CNCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9153242
LogD (pH = 7.4)
-0.26026157
Log P
1.0163962
Molar Refractivity
79.326
Polarizability
31.267525
Polar Surface Area
42.96
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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