Molecule

ID:125825

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₄
Molecular Mass
150.1332
Exact Mass
150.06405681
Charge
0
InChI
InChI=1S/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3
InChIKey
CKKXWJDFFQPBQL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/C(=O)O.N.N
Isomeric Smiles
O=C(O)/C=C/C(=O)O.N.N
Calculated Properties
JChem
Acid pKa
3.5457325
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1057482
LogD (pH = 7.4)
-6.3127127
Log P
-0.04091433
Molar Refractivity
24.607
Polarizability
9.126
Polar Surface Area
74.6
Rotatable Bonds
2
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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