Molecule

ID:57455

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-5-20-15(19)13-11-14(16(2,3)4)17-18(13)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3
InChIKey
FCAZBVSMQZUCQB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1c1ccccc1)C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C(C)(C)C)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.270248
LogD (pH = 7.4)
4.270257
Log P
4.270257
Molar Refractivity
79.365
Polarizability
30.963667
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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