Molecule

ID:77213

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₂
Molecular Mass
116.11852
Exact Mass
116.05857751
Charge
0
InChI
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3
InChIKey
JGUQDUKBUKFFRO-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/C(=N/O)/C)\C
Isomeric Smiles
N(=C(\C)/C(=N/O)/C)\O
Calculated Properties
JChem
Acid pKa
7.886533
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4126258
LogD (pH = 7.4)
0.29240566
Log P
0.41445905
Molar Refractivity
29.1842
Polarizability
11.004104
Polar Surface Area
65.18
Rotatable Bonds
1
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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