Molecule

ID:16611

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₄
Molecular Mass
158.11214
Exact Mass
158.03275668
Charge
0
InChI
InChI=1S/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)
InChIKey
UYBPMPGSEWRTLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)CNC1=O
Isomeric Smiles
N1(C(=O)CNC1=O)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3305573
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.9023795
LogD (pH = 7.4)
-5.168023
Log P
-1.7485611
Molar Refractivity
32.0274
Polarizability
12.478441
Polar Surface Area
86.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation