Molecule

ID:109104

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂
Molecular Mass
114.10264
Exact Mass
114.04292744
Charge
0
InChI
InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)
InChIKey
BSSNZUFKXJJCBG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)/C=C/C(=O)N
Isomeric Smiles
NC(=O)/C=C/C(=O)N
Calculated Properties
JChem
Acid pKa
15.741131
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6548008
LogD (pH = 7.4)
-1.6547996
Log P
-1.6547996
Molar Refractivity
28.2514
Polarizability
10.363401
Polar Surface Area
86.18
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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