Molecule

ID:55426

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c6-4(7)3-2(8)1-10-5(3)9/h1,6-7H2
InChIKey
AUQGGYZRTLGLKQ-UHFFFAOYSA-N
Canonic Smiles
NC(=C1C(=O)COC1=O)N
Isomeric Smiles
C1OC(=O)C(=C(N)N)C1=O
Calculated Properties
JChem
Acid pKa
9.934267
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0566266
LogD (pH = 7.4)
-1.0575897
Log P
-1.0563204
Molar Refractivity
41.698
Polarizability
12.246633
Polar Surface Area
95.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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