Molecule

ID:69420

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
InChIKey
NKPPQSVPTZHGMA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncn(n1)C
Isomeric Smiles
n1(nc(nc1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.0028529062
LogD (pH = 7.4)
-0.0028524376
Log P
-0.0028524317
Molar Refractivity
45.8217
Polarizability
12.583645
Polar Surface Area
57.01
Rotatable Bonds
2
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
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References
Bioactivity
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