Molecule

ID:28802

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-18-14-4-6-15(7-5-14)19-10-9-17-12-13-3-2-8-16-11-13/h2-8,11,17H,9-10,12H2,1H3
InChIKey
SUOLAIFXEMNJPS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCNCc1cccnc1
Isomeric Smiles
n1cc(CNCCOc2ccc(cc2)OC)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.179258
LogD (pH = 7.4)
0.37151635
Log P
1.8003006
Molar Refractivity
74.1645
Polarizability
29.268007
Polar Surface Area
43.38
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
No Data Available
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Molecule Details
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References
Bioactivity
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