Molecule

ID:107679

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O₄
Molecular Mass
157.08432
Exact Mass
157.01235559
Charge
0
InChI
InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h11H,(H2,5,6,8,9,10)
InChIKey
JMUJZTASUDOAGC-UHFFFAOYSA-N
Canonic Smiles
ON=C1C(=O)NC(=O)NC1=O
Isomeric Smiles
ON=C1C(=O)NC(=O)NC1=O
Calculated Properties
JChem
Acid pKa
6.5674405
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.94046485
LogD (pH = 7.4)
-1.7856416
Log P
-0.9049779
Molar Refractivity
30.5933
Polarizability
11.695322
Polar Surface Area
107.86
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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