Molecule

ID:15000

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-10-7-4/h3H,2H2,1H3
InChIKey
ZOQYOUPZOHBXRF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocn1
Isomeric Smiles
n1c(noc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.381184
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.46741197
LogD (pH = 7.4)
0.46741197
Log P
0.46741197
Molar Refractivity
33.1089
Polarizability
11.923308
Polar Surface Area
65.22
Rotatable Bonds
3
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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