Molecule

ID:71826

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
129.07422
Exact Mass
129.01744097
Charge
0
InChI
InChI=1S/C3H3N3O3/c4-3-6-5-1(9-3)2(7)8/h(H2,4,6)(H,7,8)
InChIKey
CDCSNJVXRRSDFF-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(o1)C(=O)O
Isomeric Smiles
o1c(nnc1N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4179068
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.2253053
LogD (pH = 7.4)
-4.55318
Log P
-1.1548626
Molar Refractivity
27.8907
Polarizability
9.322348
Polar Surface Area
102.24
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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