Molecule

ID:48257

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₃
Molecular Mass
293.36142
Exact Mass
293.17394161
Charge
0
InChI
InChI=1S/C15H23N3O3/c1-2-21-15(20)12-3-4-14(13(16)11-12)18-7-5-17(6-8-18)9-10-19/h3-4,11,19H,2,5-10,16H2,1H3
InChIKey
LSVDFVQSWIIZDZ-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)c1ccc(cc1N)C(=O)OCC
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)CCN(CC1)CCO
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.1710479
LogD (pH = 7.4)
0.44429556
Log P
0.7696662
Molar Refractivity
84.3033
Polarizability
31.346813
Polar Surface Area
79.03
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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