Molecule

ID:1619

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂
Molecular Mass
114.10264
Exact Mass
114.04292744
Charge
0
InChI
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKey
OIVLITBTBDPEFK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNC(=O)N1
Isomeric Smiles
O=C1CCNC(=O)N1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.21
LogD (pH = 5.5)
-1.21
Log P
-1.21
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.73
Polar Surface Area
58.20
Polarizability
10.13
Molar Refractivity
25.75
LOG S
0.37
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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