Molecule

ID:107673

General Information
Structure
MolImage
Molecular Formula
C₄H₂N₂O₄
Molecular Mass
142.06968
Exact Mass
142.00145655
Charge
0
InChI
InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
InChIKey
HIMXGTXNXJYFGB-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(=O)C(=O)N1
Isomeric Smiles
O=C1NC(=O)C(=O)C(=O)N1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.17
LogD (pH = 5.5)
-1.02
Log P
-0.91
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
6.07
Polar Surface Area
92.34
Polarizability
10.30
Molar Refractivity
26.77
LOG S
-0.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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