Molecule

ID:102482

General Information
Structure
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
132.11792
Exact Mass
132.05349213
Charge
0
InChI
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
InChIKey
YMAWOPBAYDPSLA-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)O
Isomeric Smiles
NCC(=O)NCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.58
LogD (pH = 5.5)
-4.52
Log P
-4.52
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.52
Polar Surface Area
92.42
Polarizability
12.02
Molar Refractivity
28.81
LOG S
0.22
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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