Molecule

ID:40224

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-5(6(10)11-2)9-4-7-3-8-9/h3-5H,1-2H3
InChIKey
RFJDARQHILPXNK-UHFFFAOYSA-N
Canonic Smiles
CC(n1cncn1)C(=O)OC
Isomeric Smiles
n1(C(C(=O)OC)C)ncnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.09295961
LogD (pH = 7.4)
-0.092774525
Log P
-0.09277216
Molar Refractivity
49.4831
Polarizability
14.478255
Polar Surface Area
57.01
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
No Data Available
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Molecule Details
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References
Bioactivity
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