Molecule

ID:13538

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14/h3-7,9,11,17H,8,10,12H2,1-2H3
InChIKey
CQTDNMZLCFJYDU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2ccccn2)ccc1OC
Isomeric Smiles
c1c(c(cc(c1)CCNCc1ncccc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7817202
LogD (pH = 7.4)
0.8534742
Log P
2.093186
Molar Refractivity
78.9209
Polarizability
31.034994
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
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Molecule Details
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References
Bioactivity
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