Molecule

ID:133848

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₅
Molecular Mass
297.30706
Exact Mass
297.13247072
Charge
0
InChI
InChI=1S/C13H19N3O5/c1-7(2)12(19)14-10-3-4-16(13(20)15-10)11-5-8(18)9(6-17)21-11/h3-4,7-9,11,17-18H,5-6H2,1-2H3,(H,14,15,19,20)
InChIKey
PDTIVAGPIHEWDX-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(CC1O)n1ccc(nc1=O)NC(=O)C(C)C
Isomeric Smiles
CC(C)C(=O)Nc1ccn(c(=O)n1)C1CC(C(O1)CO)O
Calculated Properties
JChem
Acid pKa
13.071879
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-0.7219155
LogD (pH = 7.4)
-0.7219163
Log P
-0.7219155
Molar Refractivity
71.6793
Polarizability
28.211594
Polar Surface Area
111.46
Rotatable Bonds
4
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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