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Chem Isatoic Anhydride 2 | Cheminformatics

Isatoic Anhydride


  • SKU Code: CH137259
Chemical Name - Isatoic Anhydride
Mol Weight - 163.132
Smiles - O=C(c(cccc1)c1N1)OC1=O
Property Name Property Value
Mol NameIsatoic Anhydride
Molweight163.132
Monoisotopic Mass163.026944
Clogp0.6555
Clogs-2.639
H Acceptors4
H Donors1
Total Surface Area116.72
Relative Psa0.4073
Polar Surface Area55.4
Druglikeness-18.335
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Shape Index0.58333
Molecular Flexibility0.16204
Molecular Complexity0.73647
Fragments1
Non H Atoms12
Non Ch Atoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Amides1
SmilesO=C(c(cccc1)c1N1)OC1=O
InChIKeyInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChITXJUTRJFNRYTHH-UHFFFAOYSA-N

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1 - Isatoic Anhydride
2 - Isatoic Anhydride
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