Molecule

ID:106066

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₄
Molecular Mass
241.2438
Exact Mass
241.10625598
Charge
0
InChI
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)
InChIKey
LUCHPKXVUGJYGU-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(CC1O)n1cc(C)c(nc1=O)N
Isomeric Smiles
Cc1cn(C2CC(O)C(CO)O2)c(=O)nc1N
Calculated Properties
JChem
Acid pKa
13.894901
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.5014151
LogD (pH = 7.4)
-1.50133
Log P
-1.5013287
Molar Refractivity
57.3912
Polarizability
22.602726
Polar Surface Area
108.38
Rotatable Bonds
2
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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