Molecule

ID:102594

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₄
Molecular Mass
148.11732
Exact Mass
148.04840675
Charge
0
InChI
InChI=1S/C4H8N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H,7,8)(H,9,10)
InChIKey
PGNYNCTUBKSHHL-UHFFFAOYSA-N
Canonic Smiles
NC(C(C(=O)O)N)C(=O)O
Isomeric Smiles
NC(C(N)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1434017
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.9296136
LogD (pH = 7.4)
-6.744719
Log P
-5.9113913
Molar Refractivity
29.5284
Polarizability
12.41289
Polar Surface Area
126.64
Rotatable Bonds
3
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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