Molecule

ID:71637

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₃
Molecular Mass
156.13932
Exact Mass
156.05349213
Charge
0
InChI
InChI=1S/C6H8N2O3/c1-4-7-6(11-8-4)3-10-5(2)9/h3H2,1-2H3
InChIKey
KHYVPAAKUPNERX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1onc(n1)C
Isomeric Smiles
o1nc(nc1COC(=O)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.123702995
LogD (pH = 7.4)
0.12370302
Log P
0.12370302
Molar Refractivity
36.5929
Polarizability
13.659016
Polar Surface Area
65.22
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
Navigation
CAS 187970-11-2|(3-methyl-1,2,4-oxadiazol-5-yl)methyl acetate|(3-methyl-1,2,4-oxadiazol-5-yl)methyl acetate|(3-Methyl-1,2,4-oxadiazol-5-yl)methyl acetate | Molfinder