Molecule

ID:103290

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₂O₂
Molecular Mass
88.06536
Exact Mass
88.02727738
Charge
0
InChI
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
InChIKey
LJHFIVQEAFAURQ-UHFFFAOYSA-N
Canonic Smiles
ON=CC=NO
Isomeric Smiles
O/N=C/C=N/O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.01
LogD (pH = 5.5)
0.01
Log P
0.02
Rotatable Bonds
1
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.54
Polar Surface Area
65.18
Polarizability
7.57
Molar Refractivity
20.20
LOG S
0.29
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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