Molecule

ID:33179

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKey
MENQOXBTQWXPJA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cncc1
Isomeric Smiles
n1cn(cc1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.82033056
LogD (pH = 7.4)
-0.35601982
Log P
-0.29767078
Molar Refractivity
34.7632
Polarizability
13.484367
Polar Surface Area
44.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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