Molecule

ID:36339

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₄
Molecular Mass
293.31836
Exact Mass
293.1375561
Charge
0
InChI
InChI=1S/C14H19N3O4/c18-13(15-17-6-8-21-9-7-17)10-16(11-14(19)20)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)(H,19,20)
InChIKey
BJZKMEIFROEPIE-UHFFFAOYSA-N
Canonic Smiles
O=C(NN1CCOCC1)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
C(=O)(NN1CCOCC1)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.249144
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.3912252
LogD (pH = 7.4)
-3.118354
Log P
-0.11889232
Molar Refractivity
76.6459
Polarizability
29.374771
Polar Surface Area
82.11
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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