Molecule

ID:107087

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂
Molecular Mass
114.10264
Exact Mass
114.04292744
Charge
0
InChI
InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)
InChIKey
VMAQYKGITHDWKL-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(C(=O)N1)C
Isomeric Smiles
CC1NC(=O)NC1=O
Calculated Properties
JChem
Acid pKa
9.938543
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.8814719
LogD (pH = 7.4)
-0.8826968
Log P
-0.8814562
Molar Refractivity
25.54
Polarizability
9.922667
Polar Surface Area
58.2
Rotatable Bonds
0
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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