Molecule

ID:125499

General Information
Structure
MolImage
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)/t5-,6-,7-,9-/m1/s1
InChIKey
ZAYHVCMSTBRABG-JXOAFFINSA-N
Canonic Smiles
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)N
Isomeric Smiles
O=c1nc(N)c(cn1[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.40
LogD (pH = 5.5)
-2.40
Log P
-2.40
Rotatable Bonds
2
H Donor
4
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
2.72
Polar Surface Area
128.61
Polarizability
24.39
Molar Refractivity
58.90
LOG S
-0.82
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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