Molecule

ID:219

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(=O)N)CNC(C)C
Isomeric Smiles
O(CC(O)CNC(C)C)c1ccc(cc1)CC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.80
LogD (pH = 5.5)
-2.77
Log P
0.43
Rotatable Bonds
8
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
9.67
Polar Surface Area
84.58
Polarizability
29.98
Molar Refractivity
73.51
LOG S
-1.57
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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