Molecule

ID:57943

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)15/h3-6H,2,7-10,15H2,1H3
InChIKey
REPXBYRMAGIWFB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)N1CCN(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1417524
LogD (pH = 7.4)
1.1424168
Log P
1.1424253
Molar Refractivity
76.3237
Polarizability
28.40295
Polar Surface Area
75.87
Rotatable Bonds
3
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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