Molecule

ID:50813

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₃
Molecular Mass
251.32144
Exact Mass
251.15214354
Charge
0
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(9-10-16)11-12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKey
LBYKHAZJINITAL-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)OC(C)(C)C)Cc1ccccc1
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CCO)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.569241
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1246858
LogD (pH = 7.4)
2.1246858
Log P
2.1246858
Molar Refractivity
70.5934
Polarizability
27.578255
Polar Surface Area
49.77
Rotatable Bonds
6
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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