Molecule

ID:10888

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
129.07422
Exact Mass
129.01744097
Charge
0
InChI
InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChIKey
YOXIXLVJYMCCIB-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1C(=O)O
Isomeric Smiles
c1(c(non1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0770607
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4145966
LogD (pH = 7.4)
-3.0921614
Log P
0.021055905
Molar Refractivity
28.3267
Polarizability
9.319437
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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