Molecule

ID:133146

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₄
Molecular Mass
267.24132
Exact Mass
267.09675392
Charge
0
InChI
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)
InChIKey
OROIAVZITJBGSM-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(=O)c2c([nH]1)n(C1OC(CC1O)CO)cn2
Isomeric Smiles
c1nc2c(n1C1C(CC(O1)CO)O)[nH]c(nc2=O)N
Calculated Properties
JChem
Acid pKa
7.9819307
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-1.5003136
LogD (pH = 7.4)
-1.5938604
Log P
-1.4983127
Molar Refractivity
63.0906
Polarizability
23.80684
Polar Surface Area
134.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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