Molecule

ID:118866

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₅
Molecular Mass
257.2432
Exact Mass
257.1011706
Charge
0
InChI
InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)
InChIKey
PPUDLEUZKVJXSZ-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1O)(C)O)n1ccc(nc1=O)N
Isomeric Smiles
n1(C2C(C(C(O2)CO)O)(O)C)c(=O)nc(cc1)N
Calculated Properties
JChem
Acid pKa
12.432154
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-2.516941
LogD (pH = 7.4)
-2.5169446
Log P
-2.5169406
Molar Refractivity
59.183
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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