Molecule
ID:122136
General Information
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-5-14-10(4)11(9(3)13-14)7-8-12(15)16-6-2/h5-8H2,1-4H3
InChIKey
LHRFBVYTMCLLEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCc1c(C)nn(c1C)CC
Isomeric Smiles
n1n(c(c(c1C)CCC(=O)OCC)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6715066
LogD (pH = 7.4)
1.6738346
Log P
1.6738642
Molar Refractivity
74.8775
Polarizability
24.2403
Polar Surface Area
44.12
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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