Molecule

ID:106976

General Information
Structure
Molecular Formula
C₁₀H₁₃N₅O₄
Molecular Mass
267.24132
Exact Mass
267.09675392
Charge
0
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey
YKBGVTZYEHREMT-KVQBGUIXSA-N
Canonic Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(N)nc2=O
Isomeric Smiles
Nc1nc(=O)c2c([nH]1)n(cn2)[C@H]1C[C@H](O)[C@@H](CO)O1
Calculated Properties
JChem
Acid pKa
7.983698
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-1.2899845
LogD (pH = 7.4)
-1.3831745
Log P
-1.2879694
Molar Refractivity
62.677
Polarizability
23.806986
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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