Molecule

ID:85183

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₄
Molecular Mass
148.11732
Exact Mass
148.04840675
Charge
0
InChI
InChI=1S/C4H8N2O4/c1-9-3(7)5-6-4(8)10-2/h1-2H3,(H,5,7)(H,6,8)
InChIKey
BPJLPBVJCYVEAC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)NNC(=O)OC
Isomeric Smiles
N(C(=O)OC)NC(=O)OC
Calculated Properties
JChem
Acid pKa
10.38713
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.38115942
LogD (pH = 7.4)
-0.38147342
Log P
-0.38115543
Molar Refractivity
30.579
Polarizability
12.17469
Polar Surface Area
76.66
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
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Molecule Details
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References
Bioactivity
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