Molecule

ID:58526

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-6-11-8(3)13-14(9(11)4)10(5)12(15)16-7-2/h10H,6-7H2,1-5H3
InChIKey
YTGIDAVTNPREAJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1nc(c(c1C)CC)C)C
Isomeric Smiles
n1(c(c(c(n1)C)CC)C)C(C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2375128
LogD (pH = 7.4)
2.2394521
Log P
2.239477
Molar Refractivity
74.441
Polarizability
24.243444
Polar Surface Area
44.12
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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