Molecule

ID:87103

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂
Molecular Mass
114.10264
Exact Mass
114.04292744
Charge
0
InChI
InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
InChIKey
BXRNXXXXHLBUKK-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(=O)NC1
Isomeric Smiles
N1C(=O)CNC(=O)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.21
LogD (pH = 5.5)
-2.21
Log P
-2.21
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.89
Polar Surface Area
58.20
Polarizability
10.13
Molar Refractivity
25.61
LOG S
0.32
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