Molecule

ID:102487

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₄
Molecular Mass
281.30766
Exact Mass
281.1375561
Charge
0
InChI
InChI=1S/C11H15N3O2.C2H4O2/c12-7-10(15)14-9(11(13)16)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,12H2,(H2,13,16)(H,14,15);1H3,(H,3,4)
InChIKey
UFYWNVUEIJKEMY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)O.NCC(=O)NC(C(=O)N)Cc1ccccc1
Isomeric Smiles
CC(=O)O.NCC(=O)NC(Cc1ccccc1)C(=O)N
Calculated Properties
JChem
Acid pKa
12.628029
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.0953279
LogD (pH = 7.4)
-1.4070617
Log P
-0.8346108
Molar Refractivity
59.742
Polarizability
23.485165
Polar Surface Area
98.21
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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