Molecule

ID:58781

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3
InChIKey
XRWMYQLURQHNCL-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1N)c1ccc(c(c1)OCC)N
Isomeric Smiles
c1(cc(ccc1N)c1ccc(c(c1)OCC)N)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3177607
LogD (pH = 7.4)
2.3603282
Log P
2.3608925
Molar Refractivity
83.0186
Polarizability
32.297264
Polar Surface Area
70.5
Rotatable Bonds
5
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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