Molecule

ID:16441

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₃
Molecular Mass
155.1115
Exact Mass
155.03309104
Charge
0
InChI
InChI=1S/C5H5N3O3/c6-5-7-2(4(10)11)1-3(9)8-5/h1H,(H,10,11)(H3,6,7,8,9)
InChIKey
XQYZBNZSWAVQJZ-UHFFFAOYSA-N
Canonic Smiles
Oc1nc(N)nc(c1)C(=O)O
Isomeric Smiles
c1(cc(nc(n1)N)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1682891
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.1441754
LogD (pH = 7.4)
-2.8255382
Log P
0.23392096
Molar Refractivity
36.5473
Polarizability
12.848991
Polar Surface Area
109.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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