Molecule

ID:104331

General Information
Structure
Molecular Formula
C₁₀H₁₅N₃O₅
Molecular Mass
257.2432
Exact Mass
257.1011706
Charge
0
InChI
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)
InChIKey
ZAYHVCMSTBRABG-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1O)O)n1cc(C)c(nc1=O)N
Isomeric Smiles
Cc1cn(C2OC(CO)C(O)C2O)c(=O)nc1N
Calculated Properties
JChem
Acid pKa
12.55323
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-2.4019918
LogD (pH = 7.4)
-2.4019701
Log P
-2.4019668
Molar Refractivity
58.9019
Polarizability
23.29661
Polar Surface Area
128.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation