Molecule

ID:28806

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-19-9-10-20-16-6-4-14(5-7-16)11-18-13-15-3-2-8-17-12-15/h2-8,12,18H,9-11,13H2,1H3
InChIKey
KATLEBCCOIZQAC-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
n1cc(CNCc2ccc(cc2)OCCOC)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0299184
LogD (pH = 7.4)
0.61485714
Log P
1.8337486
Molar Refractivity
79.2684
Polarizability
31.124836
Polar Surface Area
43.38
Rotatable Bonds
8
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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