Molecule

ID:83751

General Information
Structure
Molecular Formula
C₄H₄N₄O₃
Molecular Mass
156.09956
Exact Mass
156.02834001
Charge
0
InChI
InChI=1S/C4H4N4O3/c5-2-1(8-11)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)
InChIKey
DKPCSXFEWFSECE-UHFFFAOYSA-N
Canonic Smiles
O=Nc1c(N)[nH]c(=O)[nH]c1=O
Isomeric Smiles
[nH]1c(c(c(=O)[nH]c1=O)N=O)N
Calculated Properties
JChem
Acid pKa
9.075834
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.656053
LogD (pH = 7.4)
-1.6648924
Log P
-1.6559309
Molar Refractivity
42.451
Polarizability
12.071472
Polar Surface Area
113.65
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
No Data Available
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Molecule Details
References
Bioactivity
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