Molecule

ID:86543

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₂
Molecular Mass
286.36878
Exact Mass
286.16812795
Charge
0
InChI
InChI=1S/C17H22N2O2/c1-5-21-16(20)14-11-15(17(2,3)4)18-19(14)12-13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3
InChIKey
VZAHPLKSERLTAN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C(C)(C)C)C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.336752
LogD (pH = 7.4)
4.3367715
Log P
4.3367715
Molar Refractivity
94.5193
Polarizability
32.045975
Polar Surface Area
44.12
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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