Molecule

ID:136173

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
132.05218451
Exact Mass
132.02750549
Charge
0
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKey
ZFSLODLOARCGLH-VMIGTVKRSA-N
Canonic Smiles
O=[13c]1[nH][13c](=O)[nH][13c](=O)[nH]1
Isomeric Smiles
[13c]1(=O)[nH][13c](=O)[nH][13c](=O)[nH]1
Calculated Properties
JChem
Acid pKa
7.547671
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.0386415
LogD (pH = 7.4)
-1.2648189
Log P
-1.0348117
Molar Refractivity
24.7278
Polarizability
9.521282
Polar Surface Area
87.3
Rotatable Bonds
0
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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