Molecule

ID:71827

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₃
Molecular Mass
157.12738
Exact Mass
157.0487411
Charge
0
InChI
InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChIKey
JZSBFOOEPYPCPW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc(o1)N
Isomeric Smiles
o1c(nnc1N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.764091
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.45216227
LogD (pH = 7.4)
-0.45233715
Log P
-0.6521606
Molar Refractivity
37.4084
Polarizability
13.098116
Polar Surface Area
91.24
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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