Molecule
ID:120804
General Information
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
129.07422
Exact Mass
129.01744097
Charge
0
InChI
InChI=1S/C3H3N3O3/c7-2(8)1-4-3(9)6-5-1/h(H,7,8)(H2,4,5,6,9)
InChIKey
KNSPHEMRHVERJM-UHFFFAOYSA-N
Canonic Smiles
Oc1n[nH]c(n1)C(=O)O
Isomeric Smiles
n1c([nH]nc1O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7487187
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.403417
LogD (pH = 7.4)
-3.9857192
Log P
0.316425
Molar Refractivity
27.2908
Polarizability
9.565013
Polar Surface Area
99.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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