Molecule

ID:89365

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₅
Molecular Mass
283.24072
Exact Mass
283.09166854
Charge
0
InChI
InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChIKey
NYHBQMYGNKIUIF-UUOKFMHZSA-N
Canonic Smiles
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
Isomeric Smiles
n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO)O)c2c(nc1)c(=O)[nH]c(n2)N
Calculated Properties
JChem
LogD (pH = 7.4)
-2.71
LogD (pH = 5.5)
-2.71
Log P
-2.71
Rotatable Bonds
2
H Donor
5
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
10.16
Polar Surface Area
155.22
Polarizability
26.14
Molar Refractivity
64.62
LOG S
-1.58
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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