Molecule

ID:125490

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O₄
Molecular Mass
184.10966
Exact Mass
184.02325463
Charge
0
InChI
InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)
InChIKey
LTQYPAVLAYVKTK-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2=NC(=O)NC2(C(=O)N1)O
Isomeric Smiles
O=C1NC(=O)NC2=NC(=O)NC12O
Calculated Properties
JChem
Acid pKa
9.028344
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.0659385
LogD (pH = 7.4)
-2.074986
Log P
-2.0658224
Molar Refractivity
35.5905
Polarizability
13.913137
Polar Surface Area
119.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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