2D Structure

4,7-ethano[1,2]dioxino[4,5-d]isoxazole


  • SKU Code: CH141280
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Chemical Name - 4,7-ethano[1,2]dioxino[4,5-d]isoxazole
Mol Weight - 151.121
Smiles - C(C1)C2=C(C=NO3)C3=C1OO2
Property Name Property Value
Mol Name4,7-ethano[1,2]dioxino[4,5-d]isoxazole
Molweight151.121
Monoisotopic Mass151.026944
Clogp2.1405
Clogs-2.733
H Acceptors4
Total Surface Area101.12
Relative Psa0.4105
Polar Surface Area40.05
Druglikeness-1.8349
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.45455
Molecular Flexibility0.20898
Molecular Complexity0.83174
Fragments1
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rings Closures3
Small Rings4
Sp3 Atoms5
SmilesC(C1)C2=C(C=NO3)C3=C1OO2
InChIKeyInChI=1S/C7H5NO3/c1-2-6-7-4(3-8-9-7)5(1)10-11-6/h3H,1-2H2
InChINTTYGCSOHVVKNA-UHFFFAOYSA-N

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