Molecule

ID:13073

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8)
InChIKey
ONMNOXQLJYNSKN-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc([nH]1)CC(=O)O
Isomeric Smiles
n1nc([nH]c1CC(=O)O)N
Calculated Properties
JChem
Acid pKa
2.621945
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.3538663
LogD (pH = 7.4)
-3.6140046
Log P
-1.6593455
Molar Refractivity
34.0617
Polarizability
11.802115
Polar Surface Area
104.89
Rotatable Bonds
2
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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