Molecule

ID:105397

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₃
Molecular Mass
266.33608
Exact Mass
266.16304257
Charge
0
InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKey
METKIMKYRPQLGS-UHFFFAOYSA-N
Canonic Smiles
OC(COc1ccc(cc1)CC(=N)O)CNC(C)C
Isomeric Smiles
CC(C)NCC(O)COc1ccc(CC(=N)O)cc1
Calculated Properties
JChem
Acid pKa
5.3956633
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.9609182
LogD (pH = 7.4)
-1.5340633
Log P
-1.1641346
Molar Refractivity
84.4419
Polarizability
29.047268
Polar Surface Area
85.57
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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