Molecule

ID:125546

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₅
Molecular Mass
283.24072
Exact Mass
283.09166854
Charge
0
InChI
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1
InChIKey
HCAJQHYUCKICQH-VPENINKCSA-N
Canonic Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1c(=O)[nH]c2c1[nH]c(N)nc2=O
Isomeric Smiles
C1[C@@H]([C@H](O[C@H]1n1c2c(c(=O)nc([nH]2)N)[nH]c1=O)CO)O
Calculated Properties
JChem
Acid pKa
7.5101104
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-2.4785917
LogD (pH = 7.4)
-2.729388
Log P
-2.4746811
Molar Refractivity
72.6934
Polarizability
24.41522
Polar Surface Area
149.51
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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